1-(2-cyanoethyl)-N-cyclohexylpiperidine-4-carboxamide

C15H25N3O — CID 47464889

IUPAC1-(2-cyanoethyl)-N-cyclohexylpiperidine-4-carboxamide
SMILESN#CCCN1CCC(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C15H25N3O/c16-9-4-10-18-11-7-13(8-12-18)15(19)17-14-5-2-1-3-6-14/h13-14H,1-8,10-12H2,(H,17,19)
InChIKeyWEPLYTPDFIQSBF-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.06
Rot. Bonds4

About 1-(2-cyanoethyl)-N-cyclohexylpiperidine-4-carboxamide

1-(2-cyanoethyl)-N-cyclohexylpiperidine-4-carboxamide (PubChem CID 47464889) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2-cyanoethyl)-N-cyclohexylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyanoethyl)-N-cyclohexylpiperidine-4-carboxamide
PubChem CID47464889
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-(2-cyanoethyl)-N-cyclohexylpiperidine-4-carboxamide
SMILESN#CCCN1CCC(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C15H25N3O/c16-9-4-10-18-11-7-13(8-12-18)15(19)17-14-5-2-1-3-6-14/h13-14H,1-8,10-12H2,(H,17,19)
InChIKeyWEPLYTPDFIQSBF-UHFFFAOYSA-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-cyclopropylpiperidine-4-carboxamide
CID 47314367
(3S)-1-(2-cyanoethyl)-N-cyclohexylpiperidine-3-carboxamide
CID 94216432
1-(2-aminoethyl)-N-cyclobutylpiperidine-4-carboxamide
CID 115161796
N-cyclohexyl-1-(2-piperidin-4-ylethyl)piperidine-4-carboxamide
CID 67801916
N-[1-(2-cyanoethyl)piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 23551843
N-cycloheptylcycloheptanecarboxamide
CID 129091005
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-cyclodecylcyclododecanecarboxamide
CID 135182352
1-(4-cyanobutyl)-N-methylpiperidine-4-carboxamide
CID 55136373
N-[1-(2-cyanoacetyl)piperidin-4-yl]cyclopentanecarboxamide
CID 108922380
1-(cyclohexanecarbonyl)-N-cyclopentylpiperidine-4-carboxamide
CID 113002958
4-N-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclohexane-1,4-dicarboxamide
CID 109147192

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanoethyl)-N-cyclohexylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-cyanoethyl)-N-cyclohexylpiperidine-4-carboxamide (CID 47464889) is 1-(2-cyanoethyl)-N-cyclohexylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyanoethyl)-N-cyclohexylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyanoethyl)-N-cyclohexylpiperidine-4-carboxamide is N#CCCN1CCC(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of 1-(2-cyanoethyl)-N-cyclohexylpiperidine-4-carboxamide?
The InChIKey is WEPLYTPDFIQSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c16-9-4-10-18-11-7-13(8-12-18)15(19)17-14-5-2-1-3-6-14/h13-14H,1-8,10-12H2,(H,17,19).
What are the key properties of 1-(2-cyanoethyl)-N-cyclohexylpiperidine-4-carboxamide?
1-(2-cyanoethyl)-N-cyclohexylpiperidine-4-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 1-(2-cyanoethyl)-N-cyclohexylpiperidine-4-carboxamide is sourced from PubChem (CID 47464889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).