N-[4-(2-oxo-4-phenylbutyl)phenyl]-2-[2-(piperidine-1-carbonyl)phenyl]benzamide

C35H34N2O3 — CID 158652838

IUPACN-[4-(2-oxo-4-phenylbutyl)phenyl]-2-[2-(piperidine-1-carbonyl)phenyl]benzamide
SMILESO=C(CCc1ccccc1)Cc1ccc(NC(=O)c2ccccc2-c2ccccc2C(=O)N2CCCCC2)cc1
InChIInChI=1S/C35H34N2O3/c38-29(22-19-26-11-3-1-4-12-26)25-27-17-20-28(21-18-27)36-34(39)32-15-7-5-13-30(32)31-14-6-8-16-33(31)35(40)37-23-9-2-10-24-37/h1,3-8,11-18,20-21H,2,9-10,19,22-25H2,(H,36,39)
InChIKeyVGQQRKDGZOOADG-UHFFFAOYSA-N
MW530.67 g/mol
LogP6.98
Rot. Bonds9

About N-[4-(2-oxo-4-phenylbutyl)phenyl]-2-[2-(piperidine-1-carbonyl)phenyl]benzamide

N-[4-(2-oxo-4-phenylbutyl)phenyl]-2-[2-(piperidine-1-carbonyl)phenyl]benzamide (PubChem CID 158652838) has the molecular formula C35H34N2O3 and a molecular weight of 530.67 g/mol. Its IUPAC name is N-[4-(2-oxo-4-phenylbutyl)phenyl]-2-[2-(piperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(2-oxo-4-phenylbutyl)phenyl]-2-[2-(piperidine-1-carbonyl)phenyl]benzamide
PubChem CID158652838
Molecular FormulaC35H34N2O3
Molecular Weight530.67 g/mol
Exact Mass530.26
IUPAC NameN-[4-(2-oxo-4-phenylbutyl)phenyl]-2-[2-(piperidine-1-carbonyl)phenyl]benzamide
SMILESO=C(CCc1ccccc1)Cc1ccc(NC(=O)c2ccccc2-c2ccccc2C(=O)N2CCCCC2)cc1
InChIInChI=1S/C35H34N2O3/c38-29(22-19-26-11-3-1-4-12-26)25-27-17-20-28(21-18-27)36-34(39)32-15-7-5-13-30(32)31-14-6-8-16-33(31)35(40)37-23-9-2-10-24-37/h1,3-8,11-18,20-21H,2,9-10,19,22-25H2,(H,36,39)
InChIKeyVGQQRKDGZOOADG-UHFFFAOYSA-N
XLogP6.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.67
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-[[[4-[2-[2-[[4-[2-(benzylamino)-2-oxoethyl]phenyl]carbamoyl]phenyl]benzoyl]morpholin-2-yl]-phenylmethyl]amino]-2-oxoethyl]phenyl]-2-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 166785120
2-(4-acetamidophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 78806404
N-[4-(2-oxo-4-phenylbutyl)phenyl]propanamide
CID 157140681
6-chloro-N-[4-(2-oxo-4-phenylbutyl)phenyl]pyridine-2-carboxamide
CID 167602608
3-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]propanamide
CID 1059306
N-[4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839493
azocan-1-yl-(2-benzylphenyl)methanone
CID 112793165
3-(4-ethylphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 41467944
4-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)anilino]propyl]benzoic acid
CID 119180120
2-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 17123959
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
N-[4-(pyrrolidine-1-carbonyl)phenyl]naphthalene-1-carboxamide
CID 2986145

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxo-4-phenylbutyl)phenyl]-2-[2-(piperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of N-[4-(2-oxo-4-phenylbutyl)phenyl]-2-[2-(piperidine-1-carbonyl)phenyl]benzamide (CID 158652838) is N-[4-(2-oxo-4-phenylbutyl)phenyl]-2-[2-(piperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for N-[4-(2-oxo-4-phenylbutyl)phenyl]-2-[2-(piperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for N-[4-(2-oxo-4-phenylbutyl)phenyl]-2-[2-(piperidine-1-carbonyl)phenyl]benzamide is O=C(CCc1ccccc1)Cc1ccc(NC(=O)c2ccccc2-c2ccccc2C(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[4-(2-oxo-4-phenylbutyl)phenyl]-2-[2-(piperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is VGQQRKDGZOOADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N2O3/c38-29(22-19-26-11-3-1-4-12-26)25-27-17-20-28(21-18-27)36-34(39)32-15-7-5-13-30(32)31-14-6-8-16-33(31)35(40)37-23-9-2-10-24-37/h1,3-8,11-18,20-21H,2,9-10,19,22-25H2,(H,36,39).
What are the key properties of N-[4-(2-oxo-4-phenylbutyl)phenyl]-2-[2-(piperidine-1-carbonyl)phenyl]benzamide?
N-[4-(2-oxo-4-phenylbutyl)phenyl]-2-[2-(piperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 530.67 g/mol, XLogP of 6.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxo-4-phenylbutyl)phenyl]-2-[2-(piperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 158652838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).