1-[4-[(4-acetylpiperazin-1-yl)methyl]piperidin-1-yl]-2,2,3,3-tetramethylpentan-1-one;ethane

C23H45N3O2 — CID 177194731

IUPAC1-[4-[(4-acetylpiperazin-1-yl)methyl]piperidin-1-yl]-2,2,3,3-tetramethylpentan-1-one;ethane
SMILESCC.CCC(C)(C)C(C)(C)C(=O)N1CCC(CN2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C21H39N3O2.C2H6/c1-7-20(3,4)21(5,6)19(26)24-10-8-18(9-11-24)16-22-12-14-23(15-13-22)17(2)25;1-2/h18H,7-16H2,1-6H3;1-2H3
InChIKeyOPVKYRBJXUOXFJ-UHFFFAOYSA-N
MW395.63 g/mol
LogP3.88
Rot. Bonds5

About 1-[4-[(4-acetylpiperazin-1-yl)methyl]piperidin-1-yl]-2,2,3,3-tetramethylpentan-1-one;ethane

1-[4-[(4-acetylpiperazin-1-yl)methyl]piperidin-1-yl]-2,2,3,3-tetramethylpentan-1-one;ethane (PubChem CID 177194731) has the molecular formula C23H45N3O2 and a molecular weight of 395.63 g/mol. Its IUPAC name is 1-[4-[(4-acetylpiperazin-1-yl)methyl]piperidin-1-yl]-2,2,3,3-tetramethylpentan-1-one;ethane.

Molecular Properties

Compound Name1-[4-[(4-acetylpiperazin-1-yl)methyl]piperidin-1-yl]-2,2,3,3-tetramethylpentan-1-one;ethane
PubChem CID177194731
Molecular FormulaC23H45N3O2
Molecular Weight395.63 g/mol
Exact Mass395.35
IUPAC Name1-[4-[(4-acetylpiperazin-1-yl)methyl]piperidin-1-yl]-2,2,3,3-tetramethylpentan-1-one;ethane
SMILESCC.CCC(C)(C)C(C)(C)C(=O)N1CCC(CN2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C21H39N3O2.C2H6/c1-7-20(3,4)21(5,6)19(26)24-10-8-18(9-11-24)16-22-12-14-23(15-13-22)17(2)25;1-2/h18H,7-16H2,1-6H3;1-2H3
InChIKeyOPVKYRBJXUOXFJ-UHFFFAOYSA-N
XLogP3.88
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.63
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(4-acetylpiperazin-1-yl)methyl]piperidin-1-yl]-2,2,3,3-tetramethylpentan-1-one;ethane 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

ethane;1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 170617031
2-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]-3,3,3-trifluoro-2-methylpropan-1-one
CID 79804808
2,2-dimethyl-3-oxo-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanoic acid
CID 82821865
2-bromo-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 114328312
2-amino-3,3,3-trifluoro-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 79793264
2-amino-2-cyclopropyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 60964191
2-bromo-2-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 114328262
2,2-dimethyl-3-oxo-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanenitrile
CID 63007703
ethane;methanamine;1-(4-propylpiperidin-1-yl)ethanone
CID 166152008
ethane;1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]propan-2-one
CID 178000200
2,2,4,4-tetramethyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pentan-1-one
CID 163269367
1-[4-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazin-1-yl]ethanone
CID 167190623

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-acetylpiperazin-1-yl)methyl]piperidin-1-yl]-2,2,3,3-tetramethylpentan-1-one;ethane?
The IUPAC name of 1-[4-[(4-acetylpiperazin-1-yl)methyl]piperidin-1-yl]-2,2,3,3-tetramethylpentan-1-one;ethane (CID 177194731) is 1-[4-[(4-acetylpiperazin-1-yl)methyl]piperidin-1-yl]-2,2,3,3-tetramethylpentan-1-one;ethane.
What is the SMILES notation for 1-[4-[(4-acetylpiperazin-1-yl)methyl]piperidin-1-yl]-2,2,3,3-tetramethylpentan-1-one;ethane?
The canonical SMILES for 1-[4-[(4-acetylpiperazin-1-yl)methyl]piperidin-1-yl]-2,2,3,3-tetramethylpentan-1-one;ethane is CC.CCC(C)(C)C(C)(C)C(=O)N1CCC(CN2CCN(C(C)=O)CC2)CC1.
What is the InChIKey of 1-[4-[(4-acetylpiperazin-1-yl)methyl]piperidin-1-yl]-2,2,3,3-tetramethylpentan-1-one;ethane?
The InChIKey is OPVKYRBJXUOXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3O2.C2H6/c1-7-20(3,4)21(5,6)19(26)24-10-8-18(9-11-24)16-22-12-14-23(15-13-22)17(2)25;1-2/h18H,7-16H2,1-6H3;1-2H3.
What are the key properties of 1-[4-[(4-acetylpiperazin-1-yl)methyl]piperidin-1-yl]-2,2,3,3-tetramethylpentan-1-one;ethane?
1-[4-[(4-acetylpiperazin-1-yl)methyl]piperidin-1-yl]-2,2,3,3-tetramethylpentan-1-one;ethane has a molecular weight of 395.63 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-acetylpiperazin-1-yl)methyl]piperidin-1-yl]-2,2,3,3-tetramethylpentan-1-one;ethane is sourced from PubChem (CID 177194731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).