1-benzyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide

C17H25N3O — CID 119453078

IUPAC1-benzyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide
SMILESO=C(NC1CCNC1)C1CCCCN1Cc1ccccc1
InChIInChI=1S/C17H25N3O/c21-17(19-15-9-10-18-12-15)16-8-4-5-11-20(16)13-14-6-2-1-3-7-14/h1-3,6-7,15-16,18H,4-5,8-13H2,(H,19,21)
InChIKeyOMSQKWUCVQNLHC-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.52
Rot. Bonds4

About 1-benzyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide

1-benzyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide (PubChem CID 119453078) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-benzyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide
PubChem CID119453078
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-benzyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide
SMILESO=C(NC1CCNC1)C1CCCCN1Cc1ccccc1
InChIInChI=1S/C17H25N3O/c21-17(19-15-9-10-18-12-15)16-8-4-5-11-20(16)13-14-6-2-1-3-7-14/h1-3,6-7,15-16,18H,4-5,8-13H2,(H,19,21)
InChIKeyOMSQKWUCVQNLHC-UHFFFAOYSA-N
XLogP1.52
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-piperidin-3-ylpiperidine-2-carboxamide;dihydrochloride
CID 119427951
(2S)-1-benzyl-N-(thian-4-yl)piperidine-2-carboxamide
CID 97215907
1-benzyl-N-(2-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride
CID 120599716
1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 120947149
1-benzyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;dihydrochloride
CID 119558347
1-benzyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119538060
methyl 4-[(1-benzylpyrrolidine-2-carbonyl)amino]piperidine-1-carboxylate
CID 51093260
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
1-benzyl-N-(3-piperazin-1-ylpropyl)piperidine-2-carboxamide;dihydrochloride
CID 119393584
N-(1-benzylpyrrolidin-3-yl)pyrrolidine-3-carboxamide
CID 63005959
1-benzyl-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 51098589
2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 79688083

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide?
The IUPAC name of 1-benzyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide (CID 119453078) is 1-benzyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide is O=C(NC1CCNC1)C1CCCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide?
The InChIKey is OMSQKWUCVQNLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c21-17(19-15-9-10-18-12-15)16-8-4-5-11-20(16)13-14-6-2-1-3-7-14/h1-3,6-7,15-16,18H,4-5,8-13H2,(H,19,21).
What are the key properties of 1-benzyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide?
1-benzyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide is sourced from PubChem (CID 119453078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).