2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide

C19H34N4O — CID 95324163

IUPAC2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H](N2CCCCCC2)C1
InChIInChI=1S/C19H34N4O/c1-16(2)19(3,15-20)21-18(24)14-22-10-8-9-17(13-22)23-11-6-4-5-7-12-23/h16-17H,4-14H2,1-3H3,(H,21,24)/t17-,19-/m0/s1
InChIKeyLGMILPKKUHNLOC-HKUYNNGSSA-N
MW334.51 g/mol
LogP2.38
Rot. Bonds5

About 2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide

2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide (PubChem CID 95324163) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is 2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide
PubChem CID95324163
Molecular FormulaC19H34N4O
Molecular Weight334.51 g/mol
Exact Mass334.27
IUPAC Name2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H](N2CCCCCC2)C1
InChIInChI=1S/C19H34N4O/c1-16(2)19(3,15-20)21-18(24)14-22-10-8-9-17(13-22)23-11-6-4-5-7-12-23/h16-17H,4-14H2,1-3H3,(H,21,24)/t17-,19-/m0/s1
InChIKeyLGMILPKKUHNLOC-HKUYNNGSSA-N
XLogP2.38
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide 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

N-(2-cyano-3-methylbutan-2-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114681261
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]acetamide
CID 100842533
N-(2-cyano-3-methylbutan-2-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 63365075
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
CID 95270915
2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 95354060
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 51227036
N-(2-cyano-3-methylbutan-2-yl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 51287537
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide
CID 31930775
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 95900073
N-(2-cyano-3-methylbutan-2-yl)-2-(4-hydroxy-4-methylazepan-1-yl)acetamide
CID 107407960
N-(2-cyano-3-methylbutan-2-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 79833896
N-cyclopropyl-2-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]acetamide
CID 95576047

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide?
The IUPAC name of 2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide (CID 95324163) is 2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide?
The canonical SMILES for 2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide is CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H](N2CCCCCC2)C1.
What is the InChIKey of 2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide?
The InChIKey is LGMILPKKUHNLOC-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H34N4O/c1-16(2)19(3,15-20)21-18(24)14-22-10-8-9-17(13-22)23-11-6-4-5-7-12-23/h16-17H,4-14H2,1-3H3,(H,21,24)/t17-,19-/m0/s1.
What are the key properties of 2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide?
2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide has a molecular weight of 334.51 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 95324163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).