3-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-1-(4-tert-butyl-4-methylpiperidin-1-yl)propan-1-one;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;4-tert-butyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]piperidine;1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;molecular hydrogen

C153H309N17O5 — CID 167619608

IUPAC3-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-1-(4-tert-butyl-4-methylpiperidin-1-yl)propan-1-one;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;4-tert-butyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]piperidine;1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;molecular hydrogen
SMILESCC(C)(C)C1CCN(C[C@@H]2CCCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CN(C(C)(C)C)C1.CC(C)(C)CC1CCN(C(C)(C)C)CC1.CC(C)(C)CCCN1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)CCCN1CCN(CC(=O)N2CCC(C)(C(C)(C)C)CC2)CC1.CC(C)(C)N1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)N1CCC2(CCCN(C(C)(C)C)C2)CC1.CC(C)(C)NCCOCCOCCOCCC(=O)N1CCC(C)(C(C)(C)C)CC1.CC(C)N1CCCC1CN1CCC(C(C)(C)C)CC1.[H][H]
InChIInChI=1S/C23H45N3O.C23H46N2O4.C19H38N2.2C17H34N2.C16H32N2.C14H29N.C13H26N2.C11H23N.H2/c1-21(2,3)9-8-12-24-15-17-25(18-16-24)19-20(27)26-13-10-23(7,11-14-26)22(4,5)6;1-21(2,3)23(7)9-12-25(13-10-23)20(26)8-14-27-16-18-29-19-17-28-15-11-24-22(4,5)6;1-18(2,3)17-9-12-20(13-10-17)14-16-8-7-11-21(15-16)19(4,5)6;1-15(2,3)18-12-9-17(10-13-18)8-7-11-19(14-17)16(4,5)6;1-14(2)19-10-6-7-16(19)13-18-11-8-15(9-12-18)17(3,4)5;1-14(2,3)8-7-9-17-10-16(11-17)12-18(13-16)15(4,5)6;1-13(2,3)11-12-7-9-15(10-8-12)14(4,5)6;1-11(2,3)14-7-13(8-14)9-15(10-13)12(4,5)6;1-10(2,3)9-7-12(8-9)11(4,5)6;/h8-19H2,1-7H3;24H,8-19H2,1-7H3;16-17H,7-15H2,1-6H3;7-14H2,1-6H3;14-16H,6-13H2,1-5H3;7-13H2,1-6H3;12H,7-11H2,1-6H3;7-10H2,1-6H3;9H,7-8H2,1-6H3;1H/t;;16-;;;;;;;/m..0......./s1
InChIKeyMGDXUSWDTXYKKJ-RHDIHSISSA-N
MW2467.27 g/mol
LogP31.60
Rot. Bonds26

About 3-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-1-(4-tert-butyl-4-methylpiperidin-1-yl)propan-1-one;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;4-tert-butyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]piperidine;1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;molecular hydrogen

3-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-1-(4-tert-butyl-4-methylpiperidin-1-yl)propan-1-one;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;4-tert-butyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]piperidine;1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;molecular hydrogen (PubChem CID 167619608) has the molecular formula C153H309N17O5 and a molecular weight of 2467.27 g/mol. Its IUPAC name is 3-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-1-(4-tert-butyl-4-methylpiperidin-1-yl)propan-1-one;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;4-tert-butyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]piperidine;1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;molecular hydrogen.

Molecular Properties

Compound Name3-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-1-(4-tert-butyl-4-methylpiperidin-1-yl)propan-1-one;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;4-tert-butyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]piperidine;1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;molecular hydrogen
PubChem CID167619608
Molecular FormulaC153H309N17O5
Molecular Weight2467.27 g/mol
Exact Mass2465.44
IUPAC Name3-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-1-(4-tert-butyl-4-methylpiperidin-1-yl)propan-1-one;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;4-tert-butyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]piperidine;1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;molecular hydrogen
SMILESCC(C)(C)C1CCN(C[C@@H]2CCCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CN(C(C)(C)C)C1.CC(C)(C)CC1CCN(C(C)(C)C)CC1.CC(C)(C)CCCN1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)CCCN1CCN(CC(=O)N2CCC(C)(C(C)(C)C)CC2)CC1.CC(C)(C)N1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)N1CCC2(CCCN(C(C)(C)C)C2)CC1.CC(C)(C)NCCOCCOCCOCCC(=O)N1CCC(C)(C(C)(C)C)CC1.CC(C)N1CCCC1CN1CCC(C(C)(C)C)CC1.[H][H]
InChIInChI=1S/C23H45N3O.C23H46N2O4.C19H38N2.2C17H34N2.C16H32N2.C14H29N.C13H26N2.C11H23N.H2/c1-21(2,3)9-8-12-24-15-17-25(18-16-24)19-20(27)26-13-10-23(7,11-14-26)22(4,5)6;1-21(2,3)23(7)9-12-25(13-10-23)20(26)8-14-27-16-18-29-19-17-28-15-11-24-22(4,5)6;1-18(2,3)17-9-12-20(13-10-17)14-16-8-7-11-21(15-16)19(4,5)6;1-15(2,3)18-12-9-17(10-13-18)8-7-11-19(14-17)16(4,5)6;1-14(2)19-10-6-7-16(19)13-18-11-8-15(9-12-18)17(3,4)5;1-14(2,3)8-7-9-17-10-16(11-17)12-18(13-16)15(4,5)6;1-13(2,3)11-12-7-9-15(10-8-12)14(4,5)6;1-11(2,3)14-7-13(8-14)9-15(10-13)12(4,5)6;1-10(2,3)9-7-12(8-9)11(4,5)6;/h8-19H2,1-7H3;24H,8-19H2,1-7H3;16-17H,7-15H2,1-6H3;7-14H2,1-6H3;14-16H,6-13H2,1-5H3;7-13H2,1-6H3;12H,7-11H2,1-6H3;7-10H2,1-6H3;9H,7-8H2,1-6H3;1H/t;;16-;;;;;;;/m..0......./s1
InChIKeyMGDXUSWDTXYKKJ-RHDIHSISSA-N
XLogP31.60
TPSA125.70 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds26
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002467.27
LogP ≤ 531.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-1-(4-tert-butyl-4-methylpiperidin-1-yl)propan-1-one;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;4-tert-butyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]piperidine;1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-1-(4-tert-butyl-4-methylpiperidin-1-yl)propan-1-one;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;4-tert-butyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]piperidine;1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;molecular hydrogen?
The IUPAC name of 3-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-1-(4-tert-butyl-4-methylpiperidin-1-yl)propan-1-one;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;4-tert-butyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]piperidine;1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;molecular hydrogen (CID 167619608) is 3-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-1-(4-tert-butyl-4-methylpiperidin-1-yl)propan-1-one;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;4-tert-butyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]piperidine;1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;molecular hydrogen.
What is the SMILES notation for 3-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-1-(4-tert-butyl-4-methylpiperidin-1-yl)propan-1-one;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;4-tert-butyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]piperidine;1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;molecular hydrogen?
The canonical SMILES for 3-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-1-(4-tert-butyl-4-methylpiperidin-1-yl)propan-1-one;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;4-tert-butyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]piperidine;1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;molecular hydrogen is CC(C)(C)C1CCN(C[C@@H]2CCCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CN(C(C)(C)C)C1.CC(C)(C)CC1CCN(C(C)(C)C)CC1.CC(C)(C)CCCN1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)CCCN1CCN(CC(=O)N2CCC(C)(C(C)(C)C)CC2)CC1.CC(C)(C)N1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)N1CCC2(CCCN(C(C)(C)C)C2)CC1.CC(C)(C)NCCOCCOCCOCCC(=O)N1CCC(C)(C(C)(C)C)CC1.CC(C)N1CCCC1CN1CCC(C(C)(C)C)CC1.[H][H].
What is the InChIKey of 3-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-1-(4-tert-butyl-4-methylpiperidin-1-yl)propan-1-one;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;4-tert-butyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]piperidine;1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;molecular hydrogen?
The InChIKey is MGDXUSWDTXYKKJ-RHDIHSISSA-N. The full InChI is InChI=1S/C23H45N3O.C23H46N2O4.C19H38N2.2C17H34N2.C16H32N2.C14H29N.C13H26N2.C11H23N.H2/c1-21(2,3)9-8-12-24-15-17-25(18-16-24)19-20(27)26-13-10-23(7,11-14-26)22(4,5)6;1-21(2,3)23(7)9-12-25(13-10-23)20(26)8-14-27-16-18-29-19-17-28-15-11-24-22(4,5)6;1-18(2,3)17-9-12-20(13-10-17)14-16-8-7-11-21(15-16)19(4,5)6;1-15(2,3)18-12-9-17(10-13-18)8-7-11-19(14-17)16(4,5)6;1-14(2)19-10-6-7-16(19)13-18-11-8-15(9-12-18)17(3,4)5;1-14(2,3)8-7-9-17-10-16(11-17)12-18(13-16)15(4,5)6;1-13(2,3)11-12-7-9-15(10-8-12)14(4,5)6;1-11(2,3)14-7-13(8-14)9-15(10-13)12(4,5)6;1-10(2,3)9-7-12(8-9)11(4,5)6;/h8-19H2,1-7H3;24H,8-19H2,1-7H3;16-17H,7-15H2,1-6H3;7-14H2,1-6H3;14-16H,6-13H2,1-5H3;7-13H2,1-6H3;12H,7-11H2,1-6H3;7-10H2,1-6H3;9H,7-8H2,1-6H3;1H/t;;16-;;;;;;;/m..0......./s1.
What are the key properties of 3-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-1-(4-tert-butyl-4-methylpiperidin-1-yl)propan-1-one;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;4-tert-butyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]piperidine;1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;molecular hydrogen?
3-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-1-(4-tert-butyl-4-methylpiperidin-1-yl)propan-1-one;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;4-tert-butyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]piperidine;1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;molecular hydrogen has a molecular weight of 2467.27 g/mol, XLogP of 31.60, 26 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-1-(4-tert-butyl-4-methylpiperidin-1-yl)propan-1-one;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;4-tert-butyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]piperidine;1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;molecular hydrogen is sourced from PubChem (CID 167619608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).