(6-chloro-1H-indol-3-yl)-(4-phenylpiperidin-1-yl)methanone

C20H19ClN2O — CID 59429617

IUPAC(6-chloro-1H-indol-3-yl)-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(c1c[nH]c2cc(Cl)ccc12)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H19ClN2O/c21-16-6-7-17-18(13-22-19(17)12-16)20(24)23-10-8-15(9-11-23)14-4-2-1-3-5-14/h1-7,12-13,15,22H,8-11H2
InChIKeyCVKSYQXMZUFRCL-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.84
Rot. Bonds2

About (6-chloro-1H-indol-3-yl)-(4-phenylpiperidin-1-yl)methanone

(6-chloro-1H-indol-3-yl)-(4-phenylpiperidin-1-yl)methanone (PubChem CID 59429617) has the molecular formula C20H19ClN2O and a molecular weight of 338.84 g/mol. Its IUPAC name is (6-chloro-1H-indol-3-yl)-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-chloro-1H-indol-3-yl)-(4-phenylpiperidin-1-yl)methanone
PubChem CID59429617
Molecular FormulaC20H19ClN2O
Molecular Weight338.84 g/mol
Exact Mass338.12
IUPAC Name(6-chloro-1H-indol-3-yl)-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(c1c[nH]c2cc(Cl)ccc12)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H19ClN2O/c21-16-6-7-17-18(13-22-19(17)12-16)20(24)23-10-8-15(9-11-23)14-4-2-1-3-5-14/h1-7,12-13,15,22H,8-11H2
InChIKeyCVKSYQXMZUFRCL-UHFFFAOYSA-N
XLogP4.84
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (6-chloro-1H-indol-3-yl)-(4-phenylpiperidin-1-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

Frequently Asked Questions

What is the IUPAC name of (6-chloro-1H-indol-3-yl)-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of (6-chloro-1H-indol-3-yl)-(4-phenylpiperidin-1-yl)methanone (CID 59429617) is (6-chloro-1H-indol-3-yl)-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for (6-chloro-1H-indol-3-yl)-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for (6-chloro-1H-indol-3-yl)-(4-phenylpiperidin-1-yl)methanone is O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC(c2ccccc2)CC1.
What is the InChIKey of (6-chloro-1H-indol-3-yl)-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is CVKSYQXMZUFRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O/c21-16-6-7-17-18(13-22-19(17)12-16)20(24)23-10-8-15(9-11-23)14-4-2-1-3-5-14/h1-7,12-13,15,22H,8-11H2.
What are the key properties of (6-chloro-1H-indol-3-yl)-(4-phenylpiperidin-1-yl)methanone?
(6-chloro-1H-indol-3-yl)-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 338.84 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1H-indol-3-yl)-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 59429617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).