2-cyano-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide

C17H30N4O — CID 67189818

IUPAC2-cyano-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
SMILESCNC[C@H](CC1CCCCC1)NC(=O)N1CCCCC1C#N
InChIInChI=1S/C17H30N4O/c1-19-13-15(11-14-7-3-2-4-8-14)20-17(22)21-10-6-5-9-16(21)12-18/h14-16,19H,2-11,13H2,1H3,(H,20,22)/t15-,16?/m0/s1
InChIKeyROMDYOXBMKYMEH-VYRBHSGPSA-N
MW306.45 g/mol
LogP2.63
Rot. Bonds5

About 2-cyano-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide

2-cyano-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide (PubChem CID 67189818) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-cyano-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-cyano-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
PubChem CID67189818
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name2-cyano-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
SMILESCNC[C@H](CC1CCCCC1)NC(=O)N1CCCCC1C#N
InChIInChI=1S/C17H30N4O/c1-19-13-15(11-14-7-3-2-4-8-14)20-17(22)21-10-6-5-9-16(21)12-18/h14-16,19H,2-11,13H2,1H3,(H,20,22)/t15-,16?/m0/s1
InChIKeyROMDYOXBMKYMEH-VYRBHSGPSA-N
XLogP2.63
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-cyano-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide 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

(2S)-1-acetylazepane-2-carbonitrile
CID 125042026
1-[2,3-bis(methylamino)propanoyl]pyrrolidine-2-carbonitrile
CID 58719540
tert-butyl N-[(2S)-1-cycloheptyl-3-(methylamino)propan-2-yl]carbamate
CID 68715214
tert-butyl N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]carbamate
CID 59382980
2-cyano-N-ethyl-N-methylpiperidine-1-carboxamide
CID 79159844
2-(2-aminopropyl)-N-propan-2-ylazepane-1-carboxamide
CID 112747922
1-[4-[(2S)-2-cyanopyrrolidin-1-yl]-4-oxobut-2-enoyl]pyrrolidine-2-carbonitrile
CID 91003836
1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-2-carbonitrile
CID 65156614
[(2S)-1-(methylamino)-3-(oxan-3-yl)propan-2-yl]carbamic acid
CID 67366140
N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(E)-5-ethoxy-1-phenylpent-1-enyl]piperidine-1-carboxamide
CID 67191387
tert-butyl (2R)-2-cyanopiperidine-1-carboxylate
CID 7019482
2-methyl-3-(methylamino)-1-(2-methylazepan-1-yl)propan-1-one;hydrochloride
CID 119785159

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 2-cyano-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide (CID 67189818) is 2-cyano-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 2-cyano-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 2-cyano-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide is CNC[C@H](CC1CCCCC1)NC(=O)N1CCCCC1C#N.
What is the InChIKey of 2-cyano-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The InChIKey is ROMDYOXBMKYMEH-VYRBHSGPSA-N. The full InChI is InChI=1S/C17H30N4O/c1-19-13-15(11-14-7-3-2-4-8-14)20-17(22)21-10-6-5-9-16(21)12-18/h14-16,19H,2-11,13H2,1H3,(H,20,22)/t15-,16?/m0/s1.
What are the key properties of 2-cyano-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
2-cyano-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide has a molecular weight of 306.45 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 67189818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).