(4-chlorophenyl)-(1-indol-1-ylpiperidin-4-yl)methanone

C20H19ClN2O — CID 173284837

IUPAC(4-chlorophenyl)-(1-indol-1-ylpiperidin-4-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(n2ccc3ccccc32)CC1
InChIInChI=1S/C20H19ClN2O/c21-18-7-5-16(6-8-18)20(24)17-9-12-22(13-10-17)23-14-11-15-3-1-2-4-19(15)23/h1-8,11,14,17H,9-10,12-13H2
InChIKeyCYMVGZNOVOIYEB-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.53
Rot. Bonds3

About (4-chlorophenyl)-(1-indol-1-ylpiperidin-4-yl)methanone

(4-chlorophenyl)-(1-indol-1-ylpiperidin-4-yl)methanone (PubChem CID 173284837) has the molecular formula C20H19ClN2O and a molecular weight of 338.84 g/mol. Its IUPAC name is (4-chlorophenyl)-(1-indol-1-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(1-indol-1-ylpiperidin-4-yl)methanone
PubChem CID173284837
Molecular FormulaC20H19ClN2O
Molecular Weight338.84 g/mol
Exact Mass338.12
IUPAC Name(4-chlorophenyl)-(1-indol-1-ylpiperidin-4-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(n2ccc3ccccc32)CC1
InChIInChI=1S/C20H19ClN2O/c21-18-7-5-16(6-8-18)20(24)17-9-12-22(13-10-17)23-14-11-15-3-1-2-4-19(15)23/h1-8,11,14,17H,9-10,12-13H2
InChIKeyCYMVGZNOVOIYEB-UHFFFAOYSA-N
XLogP4.53
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-chlorophenyl)-(1-indol-1-ylpiperidin-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-pyrrolidin-1-ylindole
CID 19365073
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 87042975
4-indol-1-ylpiperazine-1-carboxylic acid
CID 174415288
(4-chlorophenyl)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone
CID 60561002
[4-(4-chlorophenyl)phenyl]-cyclopropylmethanone
CID 39358836
(4-chlorophenyl)-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methanone
CID 110902032
1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-phenoxyethanone
CID 110394316
(4-chlorophenyl)-[1-(2-methylpropyl)piperidin-4-yl]methanone
CID 57128692
[1-(3-chloro-5-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 155515611
N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-4-chlorobenzamide
CID 41308736
(4-chlorophenyl)-[1-(2-phenylethylsulfonyl)piperidin-4-yl]methanone
CID 110394334
(4-chlorophenyl)-[1-(1-phenyltriazole-4-carbonyl)piperidin-4-yl]methanone
CID 87043000

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(1-indol-1-ylpiperidin-4-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(1-indol-1-ylpiperidin-4-yl)methanone (CID 173284837) is (4-chlorophenyl)-(1-indol-1-ylpiperidin-4-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(1-indol-1-ylpiperidin-4-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(1-indol-1-ylpiperidin-4-yl)methanone is O=C(c1ccc(Cl)cc1)C1CCN(n2ccc3ccccc32)CC1.
What is the InChIKey of (4-chlorophenyl)-(1-indol-1-ylpiperidin-4-yl)methanone?
The InChIKey is CYMVGZNOVOIYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O/c21-18-7-5-16(6-8-18)20(24)17-9-12-22(13-10-17)23-14-11-15-3-1-2-4-19(15)23/h1-8,11,14,17H,9-10,12-13H2.
What are the key properties of (4-chlorophenyl)-(1-indol-1-ylpiperidin-4-yl)methanone?
(4-chlorophenyl)-(1-indol-1-ylpiperidin-4-yl)methanone has a molecular weight of 338.84 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(1-indol-1-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 173284837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).