N-butyl-3-[1-(4-methoxybenzoyl)piperidin-3-yl]benzamide

C24H30N2O3 — CID 46333958

IUPACN-butyl-3-[1-(4-methoxybenzoyl)piperidin-3-yl]benzamide
SMILESCCCCNC(=O)c1cccc(C2CCCN(C(=O)c3ccc(OC)cc3)C2)c1
InChIInChI=1S/C24H30N2O3/c1-3-4-14-25-23(27)20-8-5-7-19(16-20)21-9-6-15-26(17-21)24(28)18-10-12-22(29-2)13-11-18/h5,7-8,10-13,16,21H,3-4,6,9,14-15,17H2,1-2H3,(H,25,27)
InChIKeyYDGFIGDVZQCUBM-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.24
Rot. Bonds7

About N-butyl-3-[1-(4-methoxybenzoyl)piperidin-3-yl]benzamide

N-butyl-3-[1-(4-methoxybenzoyl)piperidin-3-yl]benzamide (PubChem CID 46333958) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-butyl-3-[1-(4-methoxybenzoyl)piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-butyl-3-[1-(4-methoxybenzoyl)piperidin-3-yl]benzamide
PubChem CID46333958
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-butyl-3-[1-(4-methoxybenzoyl)piperidin-3-yl]benzamide
SMILESCCCCNC(=O)c1cccc(C2CCCN(C(=O)c3ccc(OC)cc3)C2)c1
InChIInChI=1S/C24H30N2O3/c1-3-4-14-25-23(27)20-8-5-7-19(16-20)21-9-6-15-26(17-21)24(28)18-10-12-22(29-2)13-11-18/h5,7-8,10-13,16,21H,3-4,6,9,14-15,17H2,1-2H3,(H,25,27)
InChIKeyYDGFIGDVZQCUBM-UHFFFAOYSA-N
XLogP4.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-3-[1-(4-methoxybenzoyl)piperidin-3-yl]benzamide
CID 46333939
3-[(3S)-1-(4-methoxybenzoyl)piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 92872341
N-[(3-chlorophenyl)methyl]-3-[1-(4-methoxybenzoyl)piperidin-3-yl]benzamide
CID 46333937
N-[(3-chlorophenyl)methyl]-3-[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]benzamide
CID 92872314
(3S)-3-[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 92890941
3-[(3S)-1-benzoylpiperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 92872473
(3R)-N-ethyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92890982
3-[1-(4-ethylbenzoyl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 46333982
N-[(4-ethylphenyl)methyl]-3-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 92872462
N-cyclopentyl-3-[(3R)-1-(4-ethylbenzoyl)piperidin-3-yl]benzamide
CID 92872382
N-cyclopentyl-3-[1-(4-ethylbenzoyl)piperidin-3-yl]benzamide
CID 46333971
N-benzyl-3-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 46333935

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[1-(4-methoxybenzoyl)piperidin-3-yl]benzamide?
The IUPAC name of N-butyl-3-[1-(4-methoxybenzoyl)piperidin-3-yl]benzamide (CID 46333958) is N-butyl-3-[1-(4-methoxybenzoyl)piperidin-3-yl]benzamide.
What is the SMILES notation for N-butyl-3-[1-(4-methoxybenzoyl)piperidin-3-yl]benzamide?
The canonical SMILES for N-butyl-3-[1-(4-methoxybenzoyl)piperidin-3-yl]benzamide is CCCCNC(=O)c1cccc(C2CCCN(C(=O)c3ccc(OC)cc3)C2)c1.
What is the InChIKey of N-butyl-3-[1-(4-methoxybenzoyl)piperidin-3-yl]benzamide?
The InChIKey is YDGFIGDVZQCUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-3-4-14-25-23(27)20-8-5-7-19(16-20)21-9-6-15-26(17-21)24(28)18-10-12-22(29-2)13-11-18/h5,7-8,10-13,16,21H,3-4,6,9,14-15,17H2,1-2H3,(H,25,27).
What are the key properties of N-butyl-3-[1-(4-methoxybenzoyl)piperidin-3-yl]benzamide?
N-butyl-3-[1-(4-methoxybenzoyl)piperidin-3-yl]benzamide has a molecular weight of 394.52 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[1-(4-methoxybenzoyl)piperidin-3-yl]benzamide is sourced from PubChem (CID 46333958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).