N-[(4-ethylphenyl)methyl]-3-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide

C29H32N2O2 — CID 92872462

IUPACN-[(4-ethylphenyl)methyl]-3-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide
SMILESCCc1ccc(CNC(=O)c2cccc([C@H]3CCCN(C(=O)c4ccc(C)cc4)C3)c2)cc1
InChIInChI=1S/C29H32N2O2/c1-3-22-11-13-23(14-12-22)19-30-28(32)26-7-4-6-25(18-26)27-8-5-17-31(20-27)29(33)24-15-9-21(2)10-16-24/h4,6-7,9-16,18,27H,3,5,8,17,19-20H2,1-2H3,(H,30,32)/t27-/m0/s1
InChIKeyKMMJZFBXHUNWSD-MHZLTWQESA-N
MW440.59 g/mol
LogP5.51
Rot. Bonds6

About N-[(4-ethylphenyl)methyl]-3-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide

N-[(4-ethylphenyl)methyl]-3-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide (PubChem CID 92872462) has the molecular formula C29H32N2O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-3-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-3-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide
PubChem CID92872462
Molecular FormulaC29H32N2O2
Molecular Weight440.59 g/mol
Exact Mass440.25
IUPAC NameN-[(4-ethylphenyl)methyl]-3-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide
SMILESCCc1ccc(CNC(=O)c2cccc([C@H]3CCCN(C(=O)c4ccc(C)cc4)C3)c2)cc1
InChIInChI=1S/C29H32N2O2/c1-3-22-11-13-23(14-12-22)19-30-28(32)26-7-4-6-25(18-26)27-8-5-17-31(20-27)29(33)24-15-9-21(2)10-16-24/h4,6-7,9-16,18,27H,3,5,8,17,19-20H2,1-2H3,(H,30,32)/t27-/m0/s1
InChIKeyKMMJZFBXHUNWSD-MHZLTWQESA-N
XLogP5.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 46333935
N-(4-ethylphenyl)-3-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 46334023
N-cyclopentyl-3-[1-(4-ethylbenzoyl)piperidin-3-yl]benzamide
CID 46333971
3-[3-[(4-ethylphenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 50789050
N-cyclopentyl-3-[(3R)-1-(4-ethylbenzoyl)piperidin-3-yl]benzamide
CID 92872382
3-[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 92872421
N-[2-(cyclohexen-1-yl)ethyl]-3-[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]benzamide
CID 92872415
3-[1-(4-ethylbenzoyl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 46333982
3-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide
CID 46334145
N-[(3-chlorophenyl)methyl]-3-[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]benzamide
CID 92872314
N-[(3-chlorophenyl)methyl]-3-[1-(4-methoxybenzoyl)piperidin-3-yl]benzamide
CID 46333937
(3S)-3-[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 92890941

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-3-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-3-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide (CID 92872462) is N-[(4-ethylphenyl)methyl]-3-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-3-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-3-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide is CCc1ccc(CNC(=O)c2cccc([C@H]3CCCN(C(=O)c4ccc(C)cc4)C3)c2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-3-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide?
The InChIKey is KMMJZFBXHUNWSD-MHZLTWQESA-N. The full InChI is InChI=1S/C29H32N2O2/c1-3-22-11-13-23(14-12-22)19-30-28(32)26-7-4-6-25(18-26)27-8-5-17-31(20-27)29(33)24-15-9-21(2)10-16-24/h4,6-7,9-16,18,27H,3,5,8,17,19-20H2,1-2H3,(H,30,32)/t27-/m0/s1.
What are the key properties of N-[(4-ethylphenyl)methyl]-3-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide?
N-[(4-ethylphenyl)methyl]-3-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide has a molecular weight of 440.59 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-3-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide is sourced from PubChem (CID 92872462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).