4-[2-[(3-methylbenzoyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide

C23H29N3O2 — CID 91903569

IUPAC4-[2-[(3-methylbenzoyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(C(=O)NCCC2CCN(C(=O)Nc3ccccc3C)CC2)c1
InChIInChI=1S/C23H29N3O2/c1-17-6-5-8-20(16-17)22(27)24-13-10-19-11-14-26(15-12-19)23(28)25-21-9-4-3-7-18(21)2/h3-9,16,19H,10-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyDSTQPAWGKXNPBK-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.37
Rot. Bonds5

About 4-[2-[(3-methylbenzoyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide

4-[2-[(3-methylbenzoyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide (PubChem CID 91903569) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 4-[2-[(3-methylbenzoyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[(3-methylbenzoyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide
PubChem CID91903569
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name4-[2-[(3-methylbenzoyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(C(=O)NCCC2CCN(C(=O)Nc3ccccc3C)CC2)c1
InChIInChI=1S/C23H29N3O2/c1-17-6-5-8-20(16-17)22(27)24-13-10-19-11-14-26(15-12-19)23(28)25-21-9-4-3-7-18(21)2/h3-9,16,19H,10-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyDSTQPAWGKXNPBK-UHFFFAOYSA-N
XLogP4.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-methylbenzamide
CID 46378991
4-[2-[[2-(2-fluorophenyl)acetyl]amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 91913268
4-[2-[(2-cyclopentylacetyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 91913260
4-[2-[(3-fluorobenzoyl)amino]ethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 91903544
N-[2-[1-[(2-fluorophenyl)carbamoyl]piperidin-4-yl]ethyl]-3H-benzimidazole-5-carboxamide
CID 91911279
N-(3-chlorophenyl)-4-[2-[(2,4-dimethylphenyl)carbamoylamino]ethyl]piperidine-1-carboxamide
CID 46381791
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2-methylbenzamide
CID 46378988
N-(2-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 46366138
3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536491
N-(2-fluorophenyl)-4-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]piperidine-1-carboxamide
CID 91903601
N-phenyl-4-[2-(thiophene-3-carbonylamino)ethyl]piperidine-1-carboxamide
CID 91903510
4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide
CID 91913328

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-methylbenzoyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[2-[(3-methylbenzoyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide (CID 91903569) is 4-[2-[(3-methylbenzoyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-[(3-methylbenzoyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[2-[(3-methylbenzoyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide is Cc1cccc(C(=O)NCCC2CCN(C(=O)Nc3ccccc3C)CC2)c1.
What is the InChIKey of 4-[2-[(3-methylbenzoyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide?
The InChIKey is DSTQPAWGKXNPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17-6-5-8-20(16-17)22(27)24-13-10-19-11-14-26(15-12-19)23(28)25-21-9-4-3-7-18(21)2/h3-9,16,19H,10-15H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 4-[2-[(3-methylbenzoyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide?
4-[2-[(3-methylbenzoyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-methylbenzoyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 91903569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).