(3R)-N-butyl-1-[4-[(2-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide

C24H28ClN3O3 — CID 92729025

IUPAC(3R)-N-butyl-1-[4-[(2-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide
SMILESCCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)C1
InChIInChI=1S/C24H28ClN3O3/c1-2-3-14-26-22(29)18-7-6-15-28(16-18)24(31)17-10-12-19(13-11-17)27-23(30)20-8-4-5-9-21(20)25/h4-5,8-13,18H,2-3,6-7,14-16H2,1H3,(H,26,29)(H,27,30)/t18-/m1/s1
InChIKeySRAXKZHNGVBWFJ-GOSISDBHSA-N
MW441.96 g/mol
LogP4.36
Rot. Bonds7

About (3R)-N-butyl-1-[4-[(2-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide

(3R)-N-butyl-1-[4-[(2-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide (PubChem CID 92729025) has the molecular formula C24H28ClN3O3 and a molecular weight of 441.96 g/mol. Its IUPAC name is (3R)-N-butyl-1-[4-[(2-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-butyl-1-[4-[(2-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide
PubChem CID92729025
Molecular FormulaC24H28ClN3O3
Molecular Weight441.96 g/mol
Exact Mass441.18
IUPAC Name(3R)-N-butyl-1-[4-[(2-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide
SMILESCCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)C1
InChIInChI=1S/C24H28ClN3O3/c1-2-3-14-26-22(29)18-7-6-15-28(16-18)24(31)17-10-12-19(13-11-17)27-23(30)20-8-4-5-9-21(20)25/h4-5,8-13,18H,2-3,6-7,14-16H2,1H3,(H,26,29)(H,27,30)/t18-/m1/s1
InChIKeySRAXKZHNGVBWFJ-GOSISDBHSA-N
XLogP4.36
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(2-chlorobenzoyl)amino]benzoyl]-N-(3-methoxypropyl)piperidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 146062803
N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 46384493
1-[4-[(2-chlorobenzoyl)amino]benzoyl]-N-cycloheptylpiperidine-3-carboxamide
CID 46384471
(3S)-N-butyl-1-[3-[(4-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide
CID 92733913
1-benzoyl-N-octylpiperidine-3-carboxamide
CID 70028584
1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 46384498
(3R)-1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 92729051
5-[(3R)-3-(butylcarbamoyl)piperidine-1-carbonyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92890851
(3R)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92729380
(3R)-3-N-butyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 92900294
(3S)-1-[4-[(4-chlorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92728882
(3S)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 92729383

Frequently Asked Questions

What is the IUPAC name of (3R)-N-butyl-1-[4-[(2-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-butyl-1-[4-[(2-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide (CID 92729025) is (3R)-N-butyl-1-[4-[(2-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-butyl-1-[4-[(2-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-butyl-1-[4-[(2-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide is CCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)C1.
What is the InChIKey of (3R)-N-butyl-1-[4-[(2-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide?
The InChIKey is SRAXKZHNGVBWFJ-GOSISDBHSA-N. The full InChI is InChI=1S/C24H28ClN3O3/c1-2-3-14-26-22(29)18-7-6-15-28(16-18)24(31)17-10-12-19(13-11-17)27-23(30)20-8-4-5-9-21(20)25/h4-5,8-13,18H,2-3,6-7,14-16H2,1H3,(H,26,29)(H,27,30)/t18-/m1/s1.
What are the key properties of (3R)-N-butyl-1-[4-[(2-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide?
(3R)-N-butyl-1-[4-[(2-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide has a molecular weight of 441.96 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-butyl-1-[4-[(2-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 92729025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).