(3S)-1-[4-[(4-chlorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)piperidine-3-carboxamide

C25H30ClN3O3 — CID 92728882

IUPAC(3S)-1-[4-[(4-chlorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)piperidine-3-carboxamide
SMILESCC(C)CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C25H30ClN3O3/c1-17(2)13-14-27-23(30)20-4-3-15-29(16-20)25(32)19-7-11-22(12-8-19)28-24(31)18-5-9-21(26)10-6-18/h5-12,17,20H,3-4,13-16H2,1-2H3,(H,27,30)(H,28,31)/t20-/m0/s1
InChIKeyOUZXUIDMBJVWMK-FQEVSTJZSA-N
MW455.99 g/mol
LogP4.61
Rot. Bonds7

About (3S)-1-[4-[(4-chlorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)piperidine-3-carboxamide

(3S)-1-[4-[(4-chlorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)piperidine-3-carboxamide (PubChem CID 92728882) has the molecular formula C25H30ClN3O3 and a molecular weight of 455.99 g/mol. Its IUPAC name is (3S)-1-[4-[(4-chlorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[4-[(4-chlorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)piperidine-3-carboxamide
PubChem CID92728882
Molecular FormulaC25H30ClN3O3
Molecular Weight455.99 g/mol
Exact Mass455.20
IUPAC Name(3S)-1-[4-[(4-chlorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)piperidine-3-carboxamide
SMILESCC(C)CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C25H30ClN3O3/c1-17(2)13-14-27-23(30)20-4-3-15-29(16-20)25(32)19-7-11-22(12-8-19)28-24(31)18-5-9-21(26)10-6-18/h5-12,17,20H,3-4,13-16H2,1-2H3,(H,27,30)(H,28,31)/t20-/m0/s1
InChIKeyOUZXUIDMBJVWMK-FQEVSTJZSA-N
XLogP4.61
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.99
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(4-chlorobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 26253365
N-(2-aminoethyl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 119481429
N-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048985
1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide
CID 47100006
(3S)-N-butyl-1-[3-[(4-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide
CID 92733913
(3R)-N-butyl-1-[4-[(2-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide
CID 92729025
N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 46384493
(3S)-1-(3-acetamidobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92729485
1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 50829376
(3R)-1-(4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 8713114
(3R)-1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 92729051
1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 46384498

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-[(4-chlorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[4-[(4-chlorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)piperidine-3-carboxamide (CID 92728882) is (3S)-1-[4-[(4-chlorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[4-[(4-chlorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[4-[(4-chlorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)piperidine-3-carboxamide is CC(C)CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)C1.
What is the InChIKey of (3S)-1-[4-[(4-chlorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)piperidine-3-carboxamide?
The InChIKey is OUZXUIDMBJVWMK-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H30ClN3O3/c1-17(2)13-14-27-23(30)20-4-3-15-29(16-20)25(32)19-7-11-22(12-8-19)28-24(31)18-5-9-21(26)10-6-18/h5-12,17,20H,3-4,13-16H2,1-2H3,(H,27,30)(H,28,31)/t20-/m0/s1.
What are the key properties of (3S)-1-[4-[(4-chlorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)piperidine-3-carboxamide?
(3S)-1-[4-[(4-chlorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)piperidine-3-carboxamide has a molecular weight of 455.99 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-[(4-chlorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)piperidine-3-carboxamide is sourced from PubChem (CID 92728882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).