N-benzyl-2-[(2S)-2-cyano-3,3-dimethylpiperidin-1-yl]acetamide

C17H23N3O — CID 129479537

IUPACN-benzyl-2-[(2S)-2-cyano-3,3-dimethylpiperidin-1-yl]acetamide
SMILESCC1(C)CCCN(CC(=O)NCc2ccccc2)[C@@H]1C#N
InChIInChI=1S/C17H23N3O/c1-17(2)9-6-10-20(15(17)11-18)13-16(21)19-12-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-10,12-13H2,1-2H3,(H,19,21)/t15-/m1/s1
InChIKeyWWZCWUJIKWOFIJ-OAHLLOKOSA-N
MW285.39 g/mol
LogP2.32
Rot. Bonds4

About N-benzyl-2-[(2S)-2-cyano-3,3-dimethylpiperidin-1-yl]acetamide

N-benzyl-2-[(2S)-2-cyano-3,3-dimethylpiperidin-1-yl]acetamide (PubChem CID 129479537) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-benzyl-2-[(2S)-2-cyano-3,3-dimethylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(2S)-2-cyano-3,3-dimethylpiperidin-1-yl]acetamide
PubChem CID129479537
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-benzyl-2-[(2S)-2-cyano-3,3-dimethylpiperidin-1-yl]acetamide
SMILESCC1(C)CCCN(CC(=O)NCc2ccccc2)[C@@H]1C#N
InChIInChI=1S/C17H23N3O/c1-17(2)9-6-10-20(15(17)11-18)13-16(21)19-12-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-10,12-13H2,1-2H3,(H,19,21)/t15-/m1/s1
InChIKeyWWZCWUJIKWOFIJ-OAHLLOKOSA-N
XLogP2.32
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-[(2S)-2-cyano-3,3-dimethylpiperidin-1-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-benzyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79547063
(2R)-1-[2-(benzylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 75482539
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-benzylacetamide
CID 11930936
N-benzyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63249994
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzylacetamide;hydrochloride
CID 119927076
N-benzyl-2-[4-(1-cyanocyclopentanecarbonyl)piperazin-1-yl]acetamide
CID 39687530
N-benzyl-2-[(2,2-dimethylcyclopentyl)amino]acetamide
CID 79859713
N-benzyl-4,4-dimethylazepane-1-carboxamide
CID 103713688
N-[(4-fluorophenyl)methyl]-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 41456048
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzylacetamide
CID 120772947
2-[(3aR,6R,7aS)-6-(cyclopropylmethoxy)-3a-methoxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl]-N-benzylacetamide
CID 119065281
N-benzyl-4,4-dimethylpiperidine-1-carboxamide
CID 110749470

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2S)-2-cyano-3,3-dimethylpiperidin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[(2S)-2-cyano-3,3-dimethylpiperidin-1-yl]acetamide (CID 129479537) is N-benzyl-2-[(2S)-2-cyano-3,3-dimethylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[(2S)-2-cyano-3,3-dimethylpiperidin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[(2S)-2-cyano-3,3-dimethylpiperidin-1-yl]acetamide is CC1(C)CCCN(CC(=O)NCc2ccccc2)[C@@H]1C#N.
What is the InChIKey of N-benzyl-2-[(2S)-2-cyano-3,3-dimethylpiperidin-1-yl]acetamide?
The InChIKey is WWZCWUJIKWOFIJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N3O/c1-17(2)9-6-10-20(15(17)11-18)13-16(21)19-12-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-10,12-13H2,1-2H3,(H,19,21)/t15-/m1/s1.
What are the key properties of N-benzyl-2-[(2S)-2-cyano-3,3-dimethylpiperidin-1-yl]acetamide?
N-benzyl-2-[(2S)-2-cyano-3,3-dimethylpiperidin-1-yl]acetamide has a molecular weight of 285.39 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2S)-2-cyano-3,3-dimethylpiperidin-1-yl]acetamide is sourced from PubChem (CID 129479537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).