N-(cyclopropylmethyl)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxamide

C17H25N3O — CID 51081872

IUPACN-(cyclopropylmethyl)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCC1CC1)C1CCCN(CCc2ccncc2)C1
InChIInChI=1S/C17H25N3O/c21-17(19-12-15-3-4-15)16-2-1-10-20(13-16)11-7-14-5-8-18-9-6-14/h5-6,8-9,15-16H,1-4,7,10-13H2,(H,19,21)
InChIKeyKOOASEANEOGCPB-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.86
Rot. Bonds6

About N-(cyclopropylmethyl)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxamide

N-(cyclopropylmethyl)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxamide (PubChem CID 51081872) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxamide
PubChem CID51081872
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-(cyclopropylmethyl)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCC1CC1)C1CCCN(CCc2ccncc2)C1
InChIInChI=1S/C17H25N3O/c21-17(19-12-15-3-4-15)16-2-1-10-20(13-16)11-7-14-5-8-18-9-6-14/h5-6,8-9,15-16H,1-4,7,10-13H2,(H,19,21)
InChIKeyKOOASEANEOGCPB-UHFFFAOYSA-N
XLogP1.86
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylate
CID 79038488
(3S)-1-methyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 96568235
(3S)-1-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 94161419
N-(cyclopropylmethyl)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 60512490
(3R)-1-(2-chloroprop-2-enyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 94161409
N-[[1-(2-pyridin-4-ylethyl)piperidin-3-yl]methyl]propan-2-amine
CID 55174076
N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 46384662
(3R)-N-phenyl-1-(2-pyridin-4-ylethyl)piperidin-3-amine
CID 124590956
N-(cyclopropylmethyl)-1-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 87017442
1-[(2-chlorophenyl)methyl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 43921898
N-(cyclopropylmethyl)-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 86993577
(3S)-N-[2-(azepan-1-yl)ethyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 92882153

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxamide (CID 51081872) is N-(cyclopropylmethyl)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxamide is O=C(NCC1CC1)C1CCCN(CCc2ccncc2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxamide?
The InChIKey is KOOASEANEOGCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c21-17(19-12-15-3-4-15)16-2-1-10-20(13-16)11-7-14-5-8-18-9-6-14/h5-6,8-9,15-16H,1-4,7,10-13H2,(H,19,21).
What are the key properties of N-(cyclopropylmethyl)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxamide?
N-(cyclopropylmethyl)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 51081872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).