3-(4-benzylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide

C24H30N2O2 — CID 109051316

IUPAC3-(4-benzylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(C(=O)N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C24H30N2O2/c1-18(2)17-25-23(27)21-9-6-10-22(16-21)24(28)26-13-11-20(12-14-26)15-19-7-4-3-5-8-19/h3-10,16,18,20H,11-15,17H2,1-2H3,(H,25,27)
InChIKeySJCINSDGJAHDON-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.17
Rot. Bonds6

About 3-(4-benzylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide

3-(4-benzylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide (PubChem CID 109051316) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 3-(4-benzylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-(4-benzylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide
PubChem CID109051316
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name3-(4-benzylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(C(=O)N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C24H30N2O2/c1-18(2)17-25-23(27)21-9-6-10-22(16-21)24(28)26-13-11-20(12-14-26)15-19-7-4-3-5-8-19/h3-10,16,18,20H,11-15,17H2,1-2H3,(H,25,27)
InChIKeySJCINSDGJAHDON-UHFFFAOYSA-N
XLogP4.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide
CID 109051247
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
N-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 94035900
N-(3-methylbutyl)-3-(4-methylpiperidine-1-carbonyl)benzamide
CID 109052318
6-(4-benzylpiperidine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
CID 109093691
2-[1-[3-(propylcarbamoyl)benzoyl]piperidin-4-yl]acetic acid
CID 119177928
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111749827
4-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxypropyl)benzamide
CID 109045307
5-amino-2-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 3627197
4-(4-benzylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzamide
CID 109043879
N-benzyl-3-[(4-benzylpiperidin-1-yl)methyl]benzamide
CID 42850884
(4-benzylpiperidin-1-yl)-[5-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109179716

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-(4-benzylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide (CID 109051316) is 3-(4-benzylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-(4-benzylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-(4-benzylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1cccc(C(=O)N2CCC(Cc3ccccc3)CC2)c1.
What is the InChIKey of 3-(4-benzylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide?
The InChIKey is SJCINSDGJAHDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-18(2)17-25-23(27)21-9-6-10-22(16-21)24(28)26-13-11-20(12-14-26)15-19-7-4-3-5-8-19/h3-10,16,18,20H,11-15,17H2,1-2H3,(H,25,27).
What are the key properties of 3-(4-benzylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide?
3-(4-benzylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide has a molecular weight of 378.52 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 109051316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).