N-benzyl-1-[3-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide

C28H29N3O3 — CID 50829419

IUPACN-benzyl-1-[3-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)N3CCCC(C(=O)NCc4ccccc4)C3)c2)cc1
InChIInChI=1S/C28H29N3O3/c1-20-12-14-22(15-13-20)27(33)30-25-11-5-9-23(17-25)28(34)31-16-6-10-24(19-31)26(32)29-18-21-7-3-2-4-8-21/h2-5,7-9,11-15,17,24H,6,10,16,18-19H2,1H3,(H,29,32)(H,30,33)
InChIKeyUPSAJAZHLXQSJM-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.42
Rot. Bonds6

About N-benzyl-1-[3-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide

N-benzyl-1-[3-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide (PubChem CID 50829419) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-benzyl-1-[3-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[3-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide
PubChem CID50829419
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC NameN-benzyl-1-[3-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)N3CCCC(C(=O)NCc4ccccc4)C3)c2)cc1
InChIInChI=1S/C28H29N3O3/c1-20-12-14-22(15-13-20)27(33)30-25-11-5-9-23(17-25)28(34)31-16-6-10-24(19-31)26(32)29-18-21-7-3-2-4-8-21/h2-5,7-9,11-15,17,24H,6,10,16,18-19H2,1H3,(H,29,32)(H,30,33)
InChIKeyUPSAJAZHLXQSJM-UHFFFAOYSA-N
XLogP4.42
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 50830133
(3S)-1-(3-benzamidobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 92729519
1-butanoyl-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 55945797
1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 50829376
1-(3-benzamidobenzoyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 46387250
2-[3-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
CID 119351787
(3S)-N-butyl-1-[3-[(4-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide
CID 92733913
(3R)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92729380
N-(3-chlorophenyl)-5-[(3S)-3-[(4-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 92890586
1-[3-[(2-methylbenzoyl)amino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 50829421
1-(3,5-dimethylbenzoyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 47048010
1-[3-[(4-fluorobenzoyl)amino]benzoyl]piperidine-3-carboxylic acid
CID 119167379

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[3-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide?
The IUPAC name of N-benzyl-1-[3-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide (CID 50829419) is N-benzyl-1-[3-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-[3-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-[3-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide is Cc1ccc(C(=O)Nc2cccc(C(=O)N3CCCC(C(=O)NCc4ccccc4)C3)c2)cc1.
What is the InChIKey of N-benzyl-1-[3-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide?
The InChIKey is UPSAJAZHLXQSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-20-12-14-22(15-13-20)27(33)30-25-11-5-9-23(17-25)28(34)31-16-6-10-24(19-31)26(32)29-18-21-7-3-2-4-8-21/h2-5,7-9,11-15,17,24H,6,10,16,18-19H2,1H3,(H,29,32)(H,30,33).
What are the key properties of N-benzyl-1-[3-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide?
N-benzyl-1-[3-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[3-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 50829419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).