(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane;8-tert-butyl-3-pyridin-4-yl-8-azaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;1'-tert-butylspiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]

C124H207N19O2 — CID 161115099

IUPAC(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane;8-tert-butyl-3-pyridin-4-yl-8-azaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;1'-tert-butylspiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]
SMILESCC(C)(C)N1CC2(CCN(c3ccncc3)CC2)C1.CC(C)(C)N1CCC2(CC1)OCc1ccncc12.CC(C)(C)N1CCC2(CCC(c3ccncc3)C2)CC1.CC(C)(C)N1CCC2(CCN(c3ccncc3)C2)C1.CC(C)(C)N1CCCC2(CCN(c3ccncc3)C2)C1.CC(C)(C)N1CCN(C2CCC3(CC2)CCN(C(C)(C)C)CC3)CC1.CN1CCN(C(=O)C2CCC3(CC2)CCN(C(C)(C)C)CC3)CC1
InChIInChI=1S/C22H43N3.C20H37N3O.C18H28N2.C17H27N3.2C16H25N3.C15H22N2O/c1-20(2,3)24-13-11-22(12-14-24)9-7-19(8-10-22)23-15-17-25(18-16-23)21(4,5)6;1-19(2,3)23-11-9-20(10-12-23)7-5-17(6-8-20)18(24)22-15-13-21(4)14-16-22;1-17(2,3)20-12-8-18(9-13-20)7-4-16(14-18)15-5-10-19-11-6-15;1-16(2,3)20-11-4-7-17(14-20)8-12-19(13-17)15-5-9-18-10-6-15;1-15(2,3)19-11-7-16(13-19)6-10-18(12-16)14-4-8-17-9-5-14;1-15(2,3)19-12-16(13-19)6-10-18(11-7-16)14-4-8-17-9-5-14;1-14(2,3)17-8-5-15(6-9-17)13-10-16-7-4-12(13)11-18-15/h19H,7-18H2,1-6H3;17H,5-16H2,1-4H3;5-6,10-11,16H,4,7-9,12-14H2,1-3H3;5-6,9-10H,4,7-8,11-14H2,1-3H3;2*4-5,8-9H,6-7,10-13H2,1-3H3;4,7,10H,5-6,8-9,11H2,1-3H3
InChIKeyUKFDWXYKSVWVEP-UHFFFAOYSA-N
MW1996.15 g/mol
LogP22.73
Rot. Bonds6

About (3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane;8-tert-butyl-3-pyridin-4-yl-8-azaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;1'-tert-butylspiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]

(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane;8-tert-butyl-3-pyridin-4-yl-8-azaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;1'-tert-butylspiro[1H-furo[3,4-c]pyridine-3,4'-piperidine] (PubChem CID 161115099) has the molecular formula C124H207N19O2 and a molecular weight of 1996.15 g/mol. Its IUPAC name is (3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane;8-tert-butyl-3-pyridin-4-yl-8-azaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;1'-tert-butylspiro[1H-furo[3,4-c]pyridine-3,4'-piperidine].

Molecular Properties

Compound Name(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane;8-tert-butyl-3-pyridin-4-yl-8-azaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;1'-tert-butylspiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]
PubChem CID161115099
Molecular FormulaC124H207N19O2
Molecular Weight1996.15 g/mol
Exact Mass1994.67
IUPAC Name(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane;8-tert-butyl-3-pyridin-4-yl-8-azaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;1'-tert-butylspiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]
SMILESCC(C)(C)N1CC2(CCN(c3ccncc3)CC2)C1.CC(C)(C)N1CCC2(CC1)OCc1ccncc12.CC(C)(C)N1CCC2(CCC(c3ccncc3)C2)CC1.CC(C)(C)N1CCC2(CCN(c3ccncc3)C2)C1.CC(C)(C)N1CCCC2(CCN(c3ccncc3)C2)C1.CC(C)(C)N1CCN(C2CCC3(CC2)CCN(C(C)(C)C)CC3)CC1.CN1CCN(C(=O)C2CCC3(CC2)CCN(C(C)(C)C)CC3)CC1
InChIInChI=1S/C22H43N3.C20H37N3O.C18H28N2.C17H27N3.2C16H25N3.C15H22N2O/c1-20(2,3)24-13-11-22(12-14-24)9-7-19(8-10-22)23-15-17-25(18-16-23)21(4,5)6;1-19(2,3)23-11-9-20(10-12-23)7-5-17(6-8-20)18(24)22-15-13-21(4)14-16-22;1-17(2,3)20-12-8-18(9-13-20)7-4-16(14-18)15-5-10-19-11-6-15;1-16(2,3)20-11-4-7-17(14-20)8-12-19(13-17)15-5-9-18-10-6-15;1-15(2,3)19-11-7-16(13-19)6-10-18(12-16)14-4-8-17-9-5-14;1-15(2,3)19-12-16(13-19)6-10-18(11-7-16)14-4-8-17-9-5-14;1-14(2,3)17-8-5-15(6-9-17)13-10-16-7-4-12(13)11-18-15/h19H,7-18H2,1-6H3;17H,5-16H2,1-4H3;5-6,10-11,16H,4,7-9,12-14H2,1-3H3;5-6,9-10H,4,7-8,11-14H2,1-3H3;2*4-5,8-9H,6-7,10-13H2,1-3H3;4,7,10H,5-6,8-9,11H2,1-3H3
InChIKeyUKFDWXYKSVWVEP-UHFFFAOYSA-N
XLogP22.73
TPSA136.11 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds6
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001996.15
LogP ≤ 522.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze (3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane;8-tert-butyl-3-pyridin-4-yl-8-azaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;1'-tert-butylspiro[1H-furo[3,4-c]pyridine-3,4'-piperidine] with MolForge

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

Launch Full Analysis

Related Compounds

(3-Tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;2-tert-butyl-8-pyridin-4-yl-2-azaspiro[4.5]decan-8-ol;2-tert-butyl-9-pyridin-4-yl-2,9-diazaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-pyridin-4-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-8-[2-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane
CID 160798891
(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-pyrrolidin-1-ylmethanone;3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane;1'-tert-butylspiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]
CID 157286402
1-(2-tert-butyl-2-azaspiro[4.5]decan-8-yl)-2-pyrrolidin-1-ylethanone;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-pyrrolidin-1-ylmethanone;3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane;1'-tert-butylspiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]
CID 160925895

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane;8-tert-butyl-3-pyridin-4-yl-8-azaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;1'-tert-butylspiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]?
The IUPAC name of (3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane;8-tert-butyl-3-pyridin-4-yl-8-azaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;1'-tert-butylspiro[1H-furo[3,4-c]pyridine-3,4'-piperidine] (CID 161115099) is (3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane;8-tert-butyl-3-pyridin-4-yl-8-azaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;1'-tert-butylspiro[1H-furo[3,4-c]pyridine-3,4'-piperidine].
What is the SMILES notation for (3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane;8-tert-butyl-3-pyridin-4-yl-8-azaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;1'-tert-butylspiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]?
The canonical SMILES for (3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane;8-tert-butyl-3-pyridin-4-yl-8-azaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;1'-tert-butylspiro[1H-furo[3,4-c]pyridine-3,4'-piperidine] is CC(C)(C)N1CC2(CCN(c3ccncc3)CC2)C1.CC(C)(C)N1CCC2(CC1)OCc1ccncc12.CC(C)(C)N1CCC2(CCC(c3ccncc3)C2)CC1.CC(C)(C)N1CCC2(CCN(c3ccncc3)C2)C1.CC(C)(C)N1CCCC2(CCN(c3ccncc3)C2)C1.CC(C)(C)N1CCN(C2CCC3(CC2)CCN(C(C)(C)C)CC3)CC1.CN1CCN(C(=O)C2CCC3(CC2)CCN(C(C)(C)C)CC3)CC1.
What is the InChIKey of (3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane;8-tert-butyl-3-pyridin-4-yl-8-azaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;1'-tert-butylspiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]?
The InChIKey is UKFDWXYKSVWVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N3.C20H37N3O.C18H28N2.C17H27N3.2C16H25N3.C15H22N2O/c1-20(2,3)24-13-11-22(12-14-24)9-7-19(8-10-22)23-15-17-25(18-16-23)21(4,5)6;1-19(2,3)23-11-9-20(10-12-23)7-5-17(6-8-20)18(24)22-15-13-21(4)14-16-22;1-17(2,3)20-12-8-18(9-13-20)7-4-16(14-18)15-5-10-19-11-6-15;1-16(2,3)20-11-4-7-17(14-20)8-12-19(13-17)15-5-9-18-10-6-15;1-15(2,3)19-11-7-16(13-19)6-10-18(12-16)14-4-8-17-9-5-14;1-15(2,3)19-12-16(13-19)6-10-18(11-7-16)14-4-8-17-9-5-14;1-14(2,3)17-8-5-15(6-9-17)13-10-16-7-4-12(13)11-18-15/h19H,7-18H2,1-6H3;17H,5-16H2,1-4H3;5-6,10-11,16H,4,7-9,12-14H2,1-3H3;5-6,9-10H,4,7-8,11-14H2,1-3H3;2*4-5,8-9H,6-7,10-13H2,1-3H3;4,7,10H,5-6,8-9,11H2,1-3H3.
What are the key properties of (3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane;8-tert-butyl-3-pyridin-4-yl-8-azaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;1'-tert-butylspiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]?
(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane;8-tert-butyl-3-pyridin-4-yl-8-azaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;1'-tert-butylspiro[1H-furo[3,4-c]pyridine-3,4'-piperidine] has a molecular weight of 1996.15 g/mol, XLogP of 22.73, 6 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(4-methylpiperazin-1-yl)methanone;3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane;8-tert-butyl-3-pyridin-4-yl-8-azaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;1'-tert-butylspiro[1H-furo[3,4-c]pyridine-3,4'-piperidine] is sourced from PubChem (CID 161115099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).