3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1-(2,3-dihydro-1H-indol-5-yl)propan-1-one

C23H27ClN2O — CID 10385270

IUPAC3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1-(2,3-dihydro-1H-indol-5-yl)propan-1-one
SMILESO=C(CCC1CCN(Cc2ccccc2Cl)CC1)c1ccc2c(c1)CCN2
InChIInChI=1S/C23H27ClN2O/c24-21-4-2-1-3-20(21)16-26-13-10-17(11-14-26)5-8-23(27)19-6-7-22-18(15-19)9-12-25-22/h1-4,6-7,15,17,25H,5,8-14,16H2
InChIKeyDXOHWPHMWZTKSU-UHFFFAOYSA-N
MW382.94 g/mol
LogP5.18
Rot. Bonds6

About 3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1-(2,3-dihydro-1H-indol-5-yl)propan-1-one

3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1-(2,3-dihydro-1H-indol-5-yl)propan-1-one (PubChem CID 10385270) has the molecular formula C23H27ClN2O and a molecular weight of 382.94 g/mol. Its IUPAC name is 3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1-(2,3-dihydro-1H-indol-5-yl)propan-1-one.

Molecular Properties

Compound Name3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1-(2,3-dihydro-1H-indol-5-yl)propan-1-one
PubChem CID10385270
Molecular FormulaC23H27ClN2O
Molecular Weight382.94 g/mol
Exact Mass382.18
IUPAC Name3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1-(2,3-dihydro-1H-indol-5-yl)propan-1-one
SMILESO=C(CCC1CCN(Cc2ccccc2Cl)CC1)c1ccc2c(c1)CCN2
InChIInChI=1S/C23H27ClN2O/c24-21-4-2-1-3-20(21)16-26-13-10-17(11-14-26)5-8-23(27)19-6-7-22-18(15-19)9-12-25-22/h1-4,6-7,15,17,25H,5,8-14,16H2
InChIKeyDXOHWPHMWZTKSU-UHFFFAOYSA-N
XLogP5.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.94
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1-(2,3-dihydro-1H-indol-5-yl)propan-1-one 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 3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1-(2,3-dihydro-1H-indol-5-yl)propan-1-one?
The IUPAC name of 3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1-(2,3-dihydro-1H-indol-5-yl)propan-1-one (CID 10385270) is 3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1-(2,3-dihydro-1H-indol-5-yl)propan-1-one.
What is the SMILES notation for 3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1-(2,3-dihydro-1H-indol-5-yl)propan-1-one?
The canonical SMILES for 3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1-(2,3-dihydro-1H-indol-5-yl)propan-1-one is O=C(CCC1CCN(Cc2ccccc2Cl)CC1)c1ccc2c(c1)CCN2.
What is the InChIKey of 3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1-(2,3-dihydro-1H-indol-5-yl)propan-1-one?
The InChIKey is DXOHWPHMWZTKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O/c24-21-4-2-1-3-20(21)16-26-13-10-17(11-14-26)5-8-23(27)19-6-7-22-18(15-19)9-12-25-22/h1-4,6-7,15,17,25H,5,8-14,16H2.
What are the key properties of 3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1-(2,3-dihydro-1H-indol-5-yl)propan-1-one?
3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1-(2,3-dihydro-1H-indol-5-yl)propan-1-one has a molecular weight of 382.94 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1-(2,3-dihydro-1H-indol-5-yl)propan-1-one is sourced from PubChem (CID 10385270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).