1-(4-chlorobenzoyl)-N-[2-(2,3-dihydroindol-1-yl)phenyl]piperidine-4-carboxamide

C27H26ClN3O2 — CID 43066780

IUPAC1-(4-chlorobenzoyl)-N-[2-(2,3-dihydroindol-1-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCc2ccccc21)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C27H26ClN3O2/c28-22-11-9-21(10-12-22)27(33)30-16-13-20(14-17-30)26(32)29-23-6-2-4-8-25(23)31-18-15-19-5-1-3-7-24(19)31/h1-12,20H,13-18H2,(H,29,32)
InChIKeyZZTLKIZDFXSNSR-UHFFFAOYSA-N
MW459.98 g/mol
LogP5.53
Rot. Bonds4

About 1-(4-chlorobenzoyl)-N-[2-(2,3-dihydroindol-1-yl)phenyl]piperidine-4-carboxamide

1-(4-chlorobenzoyl)-N-[2-(2,3-dihydroindol-1-yl)phenyl]piperidine-4-carboxamide (PubChem CID 43066780) has the molecular formula C27H26ClN3O2 and a molecular weight of 459.98 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-[2-(2,3-dihydroindol-1-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-[2-(2,3-dihydroindol-1-yl)phenyl]piperidine-4-carboxamide
PubChem CID43066780
Molecular FormulaC27H26ClN3O2
Molecular Weight459.98 g/mol
Exact Mass459.17
IUPAC Name1-(4-chlorobenzoyl)-N-[2-(2,3-dihydroindol-1-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCc2ccccc21)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C27H26ClN3O2/c28-22-11-9-21(10-12-22)27(33)30-16-13-20(14-17-30)26(32)29-23-6-2-4-8-25(23)31-18-15-19-5-1-3-7-24(19)31/h1-12,20H,13-18H2,(H,29,32)
InChIKeyZZTLKIZDFXSNSR-UHFFFAOYSA-N
XLogP5.53
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.98
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 2295609
N-[2-(2,3-dihydroindol-1-yl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 38748916
N-(2-butan-2-ylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide
CID 17119279
N-(2-aminophenyl)-1-benzoylpiperidine-4-carboxamide
CID 119422490
N-(4-chlorophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 126071800
N-[2-(2,3-dihydroindol-1-yl)phenyl]oxolane-3-carboxamide
CID 75921266
1-(4-chlorobenzoyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43000360
1-(4-chlorobenzoyl)-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide
CID 9495612
1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
CID 1072789
N-(4-chloro-2-fluorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 7961244
N-(2,3-dichlorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 1327552
N-(4-bromo-2-methylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide
CID 17119229

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-[2-(2,3-dihydroindol-1-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-[2-(2,3-dihydroindol-1-yl)phenyl]piperidine-4-carboxamide (CID 43066780) is 1-(4-chlorobenzoyl)-N-[2-(2,3-dihydroindol-1-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-[2-(2,3-dihydroindol-1-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-[2-(2,3-dihydroindol-1-yl)phenyl]piperidine-4-carboxamide is O=C(Nc1ccccc1N1CCc2ccccc21)C1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-[2-(2,3-dihydroindol-1-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is ZZTLKIZDFXSNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN3O2/c28-22-11-9-21(10-12-22)27(33)30-16-13-20(14-17-30)26(32)29-23-6-2-4-8-25(23)31-18-15-19-5-1-3-7-24(19)31/h1-12,20H,13-18H2,(H,29,32).
What are the key properties of 1-(4-chlorobenzoyl)-N-[2-(2,3-dihydroindol-1-yl)phenyl]piperidine-4-carboxamide?
1-(4-chlorobenzoyl)-N-[2-(2,3-dihydroindol-1-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 459.98 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-[2-(2,3-dihydroindol-1-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 43066780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).