(3S)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide

C23H24ClN3O3 — CID 92729383

IUPAC(3S)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCNC(=O)[C@H]1CCCN(C(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)C1
InChIInChI=1S/C23H24ClN3O3/c1-2-12-25-21(28)17-8-6-13-27(15-17)23(30)16-7-5-9-18(14-16)26-22(29)19-10-3-4-11-20(19)24/h2-5,7,9-11,14,17H,1,6,8,12-13,15H2,(H,25,28)(H,26,29)/t17-/m0/s1
InChIKeyQOKNXCZJJGITDM-KRWDZBQOSA-N
MW425.92 g/mol
LogP3.75
Rot. Bonds6

About (3S)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide

(3S)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide (PubChem CID 92729383) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is (3S)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
PubChem CID92729383
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC Name(3S)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCNC(=O)[C@H]1CCCN(C(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)C1
InChIInChI=1S/C23H24ClN3O3/c1-2-12-25-21(28)17-8-6-13-27(15-17)23(30)16-7-5-9-18(14-16)26-22(29)19-10-3-4-11-20(19)24/h2-5,7,9-11,14,17H,1,6,8,12-13,15H2,(H,25,28)(H,26,29)/t17-/m0/s1
InChIKeyQOKNXCZJJGITDM-KRWDZBQOSA-N
XLogP3.75
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92729380
1-[3-[(2-methylbenzoyl)amino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 50829421
1-[3-[(2-fluorobenzoyl)amino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 50829352
(3S)-1-[3-[(4-propan-2-ylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 92729651
(3R)-N-butyl-1-[4-[(2-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide
CID 92729025
(3S)-1-(4-acetamidobenzoyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 92728970
(3R)-1-(4-chlorobenzoyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 39996060
1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 50829376
1-[3-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 46387326
(3S)-1-[3-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 92729647
1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17394642
(3S)-1-(3-benzamidobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 92729519

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide (CID 92729383) is (3S)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide is C=CCNC(=O)[C@H]1CCCN(C(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)C1.
What is the InChIKey of (3S)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide?
The InChIKey is QOKNXCZJJGITDM-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-2-12-25-21(28)17-8-6-13-27(15-17)23(30)16-7-5-9-18(14-16)26-22(29)19-10-3-4-11-20(19)24/h2-5,7,9-11,14,17H,1,6,8,12-13,15H2,(H,25,28)(H,26,29)/t17-/m0/s1.
What are the key properties of (3S)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide?
(3S)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide has a molecular weight of 425.92 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide is sourced from PubChem (CID 92729383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).