N-(1-benzylpiperidin-3-yl)piperidine-3-carboxamide

C18H27N3O — CID 119855944

IUPACN-(1-benzylpiperidin-3-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCCN(Cc2ccccc2)C1)C1CCCNC1
InChIInChI=1S/C18H27N3O/c22-18(16-8-4-10-19-12-16)20-17-9-5-11-21(14-17)13-15-6-2-1-3-7-15/h1-3,6-7,16-17,19H,4-5,8-14H2,(H,20,22)
InChIKeyJZMPSVZOENFYCS-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.77
Rot. Bonds4

About N-(1-benzylpiperidin-3-yl)piperidine-3-carboxamide

N-(1-benzylpiperidin-3-yl)piperidine-3-carboxamide (PubChem CID 119855944) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)piperidine-3-carboxamide
PubChem CID119855944
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-(1-benzylpiperidin-3-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCCN(Cc2ccccc2)C1)C1CCCNC1
InChIInChI=1S/C18H27N3O/c22-18(16-8-4-10-19-12-16)20-17-9-5-11-21(14-17)13-15-6-2-1-3-7-15/h1-3,6-7,16-17,19H,4-5,8-14H2,(H,20,22)
InChIKeyJZMPSVZOENFYCS-UHFFFAOYSA-N
XLogP1.77
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)pyrrolidine-3-carboxamide
CID 63005959
1-benzyl-N-piperidin-4-ylpiperidine-3-carboxamide;dihydrochloride
CID 119389750
N-(1-benzylpyrrolidin-3-yl)piperidine-4-carboxamide;dihydrochloride
CID 119831668
N-(1-benzylpyrrolidin-3-yl)pyrrolidine-2-carboxamide
CID 43424739
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
3-amino-N-(1-benzylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119855968
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
(3S)-N-[(3R)-1-benzylpiperidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95136177
3-amino-N-(1-benzylpyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 119831684
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
N-(1-benzylpiperidin-3-yl)-2-pyrrolidin-2-ylacetamide
CID 119856028
N-(1-benzylpiperidin-3-yl)-N-methylpiperidine-3-carboxamide;dihydrochloride
CID 119857542

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-3-yl)piperidine-3-carboxamide (CID 119855944) is N-(1-benzylpiperidin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)piperidine-3-carboxamide is O=C(NC1CCCN(Cc2ccccc2)C1)C1CCCNC1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)piperidine-3-carboxamide?
The InChIKey is JZMPSVZOENFYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c22-18(16-8-4-10-19-12-16)20-17-9-5-11-21(14-17)13-15-6-2-1-3-7-15/h1-3,6-7,16-17,19H,4-5,8-14H2,(H,20,22).
What are the key properties of N-(1-benzylpiperidin-3-yl)piperidine-3-carboxamide?
N-(1-benzylpiperidin-3-yl)piperidine-3-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 119855944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).