N-[(1-benzylpiperidin-2-yl)methyl]piperidine-3-carboxamide

C19H29N3O — CID 119861716

IUPACN-[(1-benzylpiperidin-2-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NCC1CCCCN1Cc1ccccc1)C1CCCNC1
InChIInChI=1S/C19H29N3O/c23-19(17-9-6-11-20-13-17)21-14-18-10-4-5-12-22(18)15-16-7-2-1-3-8-16/h1-3,7-8,17-18,20H,4-6,9-15H2,(H,21,23)
InChIKeyLSOZBPZVQUCSCA-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.16
Rot. Bonds5

About N-[(1-benzylpiperidin-2-yl)methyl]piperidine-3-carboxamide

N-[(1-benzylpiperidin-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 119861716) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-2-yl)methyl]piperidine-3-carboxamide
PubChem CID119861716
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN-[(1-benzylpiperidin-2-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NCC1CCCCN1Cc1ccccc1)C1CCCNC1
InChIInChI=1S/C19H29N3O/c23-19(17-9-6-11-20-13-17)21-14-18-10-4-5-12-22(18)15-16-7-2-1-3-8-16/h1-3,7-8,17-18,20H,4-6,9-15H2,(H,21,23)
InChIKeyLSOZBPZVQUCSCA-UHFFFAOYSA-N
XLogP2.16
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119888642
(3S)-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 98786828
N-[(1-benzylpiperidin-2-yl)methyl]morpholine-3-carboxamide
CID 119861728
N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119828999
N-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119888681
N-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119888680
1-benzyl-N-piperidin-3-ylpiperidine-2-carboxamide;dihydrochloride
CID 119427951
N-[(1-benzylpiperidin-2-yl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119861772
N-[(1-benzylpiperidin-2-yl)methyl]-2-ethylbutanamide
CID 60595063
N-(1-benzylpiperidin-3-yl)piperidine-3-carboxamide
CID 119855944
N-[(1-benzylpyrrolidin-2-yl)methyl]-1-propanoylpyrrolidine-3-carboxamide
CID 136516685
1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 120947149

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[(1-benzylpiperidin-2-yl)methyl]piperidine-3-carboxamide (CID 119861716) is N-[(1-benzylpiperidin-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(1-benzylpiperidin-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[(1-benzylpiperidin-2-yl)methyl]piperidine-3-carboxamide is O=C(NCC1CCCCN1Cc1ccccc1)C1CCCNC1.
What is the InChIKey of N-[(1-benzylpiperidin-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is LSOZBPZVQUCSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c23-19(17-9-6-11-20-13-17)21-14-18-10-4-5-12-22(18)15-16-7-2-1-3-8-16/h1-3,7-8,17-18,20H,4-6,9-15H2,(H,21,23).
What are the key properties of N-[(1-benzylpiperidin-2-yl)methyl]piperidine-3-carboxamide?
N-[(1-benzylpiperidin-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 119861716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).