(3S)-1-(2-cyanoethyl)-N-cyclohexylpiperidine-3-carboxamide

C15H25N3O — CID 94216432

IUPAC(3S)-1-(2-cyanoethyl)-N-cyclohexylpiperidine-3-carboxamide
SMILESN#CCCN1CCC[C@H](C(=O)NC2CCCCC2)C1
InChIInChI=1S/C15H25N3O/c16-9-5-11-18-10-4-6-13(12-18)15(19)17-14-7-2-1-3-8-14/h13-14H,1-8,10-12H2,(H,17,19)/t13-/m0/s1
InChIKeyZZAGZBVZJLHOHY-ZDUSSCGKSA-N
MW263.38 g/mol
LogP2.06
Rot. Bonds4

About (3S)-1-(2-cyanoethyl)-N-cyclohexylpiperidine-3-carboxamide

(3S)-1-(2-cyanoethyl)-N-cyclohexylpiperidine-3-carboxamide (PubChem CID 94216432) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (3S)-1-(2-cyanoethyl)-N-cyclohexylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-cyanoethyl)-N-cyclohexylpiperidine-3-carboxamide
PubChem CID94216432
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(3S)-1-(2-cyanoethyl)-N-cyclohexylpiperidine-3-carboxamide
SMILESN#CCCN1CCC[C@H](C(=O)NC2CCCCC2)C1
InChIInChI=1S/C15H25N3O/c16-9-5-11-18-10-4-6-13(12-18)15(19)17-14-7-2-1-3-8-14/h13-14H,1-8,10-12H2,(H,17,19)/t13-/m0/s1
InChIKeyZZAGZBVZJLHOHY-ZDUSSCGKSA-N
XLogP2.06
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyanoethyl)-N-cyclohexylpiperidine-4-carboxamide
CID 47464889
1-(2-cyanoethyl)piperidine-3-carboxylic acid
CID 52983711
1-(2-cyanoethyl)-N-cyclopropylpiperidine-4-carboxamide
CID 47314367
(3R)-N-cyclohexyl-1-methylpiperidine-3-carboxamide
CID 95183728
5-[3-(cyclohexylcarbamoyl)piperidin-1-yl]pentanoic acid;2,2,2-trifluoroacetic acid
CID 166208818
1-(2-amino-2-oxoethyl)-N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 131939963
3-N-cyclohexyl-1-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 51055483
(3R)-1-N-cyclohexyl-3-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 7435356
methyl (3S)-1-(3-cyanopropyl)piperidine-3-carboxylate
CID 79038062
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclodecylcyclododecanecarboxamide
CID 135182352
N-[1-[2-(cyclopentylamino)-2-oxoethyl]piperidin-3-yl]cyclobutanecarboxamide
CID 171335040

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-cyanoethyl)-N-cyclohexylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-cyanoethyl)-N-cyclohexylpiperidine-3-carboxamide (CID 94216432) is (3S)-1-(2-cyanoethyl)-N-cyclohexylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-cyanoethyl)-N-cyclohexylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-cyanoethyl)-N-cyclohexylpiperidine-3-carboxamide is N#CCCN1CCC[C@H](C(=O)NC2CCCCC2)C1.
What is the InChIKey of (3S)-1-(2-cyanoethyl)-N-cyclohexylpiperidine-3-carboxamide?
The InChIKey is ZZAGZBVZJLHOHY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25N3O/c16-9-5-11-18-10-4-6-13(12-18)15(19)17-14-7-2-1-3-8-14/h13-14H,1-8,10-12H2,(H,17,19)/t13-/m0/s1.
What are the key properties of (3S)-1-(2-cyanoethyl)-N-cyclohexylpiperidine-3-carboxamide?
(3S)-1-(2-cyanoethyl)-N-cyclohexylpiperidine-3-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-cyanoethyl)-N-cyclohexylpiperidine-3-carboxamide is sourced from PubChem (CID 94216432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).