1-[3-[(2-methylbenzoyl)amino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide

C25H31N3O3 — CID 50829421

IUPAC1-[3-[(2-methylbenzoyl)amino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide
SMILESCc1ccccc1C(=O)Nc1cccc(C(=O)N2CCCC(C(=O)NCC(C)C)C2)c1
InChIInChI=1S/C25H31N3O3/c1-17(2)15-26-23(29)20-10-7-13-28(16-20)25(31)19-9-6-11-21(14-19)27-24(30)22-12-5-4-8-18(22)3/h4-6,8-9,11-12,14,17,20H,7,10,13,15-16H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyLQDCYFSAOOYYSZ-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.87
Rot. Bonds6

About 1-[3-[(2-methylbenzoyl)amino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide

1-[3-[(2-methylbenzoyl)amino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide (PubChem CID 50829421) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 1-[3-[(2-methylbenzoyl)amino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-[(2-methylbenzoyl)amino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide
PubChem CID50829421
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name1-[3-[(2-methylbenzoyl)amino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide
SMILESCc1ccccc1C(=O)Nc1cccc(C(=O)N2CCCC(C(=O)NCC(C)C)C2)c1
InChIInChI=1S/C25H31N3O3/c1-17(2)15-26-23(29)20-10-7-13-28(16-20)25(31)19-9-6-11-21(14-19)27-24(30)22-12-5-4-8-18(22)3/h4-6,8-9,11-12,14,17,20H,7,10,13,15-16H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyLQDCYFSAOOYYSZ-UHFFFAOYSA-N
XLogP3.87
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(2-fluorobenzoyl)amino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 50829352
(3S)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 92729383
(3S)-1-(3-acetamidobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92729485
1-(3-benzamidobenzoyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 46387250
(3R)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92729380
N-benzyl-1-[3-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide
CID 50829419
(3S)-N-(3-methylbutyl)-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 92729549
N-(2-aminoethyl)-1-[3-(dimethylcarbamoylamino)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119481452
(3S)-1-(3-benzamidobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 92729519
N-(3-methoxypropyl)-1-[3-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 50829294
1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17395315
(3S)-N-butyl-1-[3-[(4-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide
CID 92733913

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methylbenzoyl)amino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-[3-[(2-methylbenzoyl)amino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide (CID 50829421) is 1-[3-[(2-methylbenzoyl)amino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[3-[(2-methylbenzoyl)amino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[3-[(2-methylbenzoyl)amino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide is Cc1ccccc1C(=O)Nc1cccc(C(=O)N2CCCC(C(=O)NCC(C)C)C2)c1.
What is the InChIKey of 1-[3-[(2-methylbenzoyl)amino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide?
The InChIKey is LQDCYFSAOOYYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-17(2)15-26-23(29)20-10-7-13-28(16-20)25(31)19-9-6-11-21(14-19)27-24(30)22-12-5-4-8-18(22)3/h4-6,8-9,11-12,14,17,20H,7,10,13,15-16H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of 1-[3-[(2-methylbenzoyl)amino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide?
1-[3-[(2-methylbenzoyl)amino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide has a molecular weight of 421.54 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-methylbenzoyl)amino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 50829421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).