1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide

C20H29N3O2 — CID 108804424

IUPAC1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C20H29N3O2/c1-16(24)23-13-7-18(8-14-23)20(25)21-19-9-11-22(12-10-19)15-17-5-3-2-4-6-17/h2-6,18-19H,7-15H2,1H3,(H,21,25)
InChIKeyBVFPELCWMZMWIL-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.03
Rot. Bonds4

About 1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide

1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide (PubChem CID 108804424) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide
PubChem CID108804424
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C20H29N3O2/c1-16(24)23-13-7-18(8-14-23)20(25)21-19-9-11-22(12-10-19)15-17-5-3-2-4-6-17/h2-6,18-19H,7-15H2,1H3,(H,21,25)
InChIKeyBVFPELCWMZMWIL-UHFFFAOYSA-N
XLogP2.03
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
1-N-phenyl-4-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1,4-dicarboxamide
CID 138041926
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 18121105
N-(1-benzylpiperidin-4-yl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53010355
N-(1-benzylpiperidin-4-yl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108521147
N-(1-benzylpiperidin-4-yl)-2,2-dichlorocyclopropane-1-carboxamide
CID 24654457
N-(1-benzylpiperidin-4-yl)-1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidine-4-carboxamide
CID 50832528
N-(1-benzylpiperidin-4-yl)-1-butanoylpiperidine-3-carboxamide
CID 55882707
N-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 27673196

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide (CID 108804424) is 1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide?
The InChIKey is BVFPELCWMZMWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-16(24)23-13-7-18(8-14-23)20(25)21-19-9-11-22(12-10-19)15-17-5-3-2-4-6-17/h2-6,18-19H,7-15H2,1H3,(H,21,25).
What are the key properties of 1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide?
1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 108804424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).