1-[2-[(4-chlorophenoxy)methyl]-1-(2-piperidin-4-ylethyl)indol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone

C34H45ClN4O2 — CID 10555187

IUPAC1-[2-[(4-chlorophenoxy)methyl]-1-(2-piperidin-4-ylethyl)indol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESO=C(CN1CCC(N2CCCCC2)CC1)c1c(COc2ccc(Cl)cc2)n(CCC2CCNCC2)c2ccccc12
InChIInChI=1S/C34H45ClN4O2/c35-27-8-10-29(11-9-27)41-25-32-34(33(40)24-37-21-15-28(16-22-37)38-19-4-1-5-20-38)30-6-2-3-7-31(30)39(32)23-14-26-12-17-36-18-13-26/h2-3,6-11,26,28,36H,1,4-5,12-25H2
InChIKeyLALYZNGWBRRKHG-UHFFFAOYSA-N
MW577.21 g/mol
LogP6.40
Rot. Bonds10

About 1-[2-[(4-chlorophenoxy)methyl]-1-(2-piperidin-4-ylethyl)indol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone

1-[2-[(4-chlorophenoxy)methyl]-1-(2-piperidin-4-ylethyl)indol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone (PubChem CID 10555187) has the molecular formula C34H45ClN4O2 and a molecular weight of 577.21 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenoxy)methyl]-1-(2-piperidin-4-ylethyl)indol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-[2-[(4-chlorophenoxy)methyl]-1-(2-piperidin-4-ylethyl)indol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
PubChem CID10555187
Molecular FormulaC34H45ClN4O2
Molecular Weight577.21 g/mol
Exact Mass576.32
IUPAC Name1-[2-[(4-chlorophenoxy)methyl]-1-(2-piperidin-4-ylethyl)indol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESO=C(CN1CCC(N2CCCCC2)CC1)c1c(COc2ccc(Cl)cc2)n(CCC2CCNCC2)c2ccccc12
InChIInChI=1S/C34H45ClN4O2/c35-27-8-10-29(11-9-27)41-25-32-34(33(40)24-37-21-15-28(16-22-37)38-19-4-1-5-20-38)30-6-2-3-7-31(30)39(32)23-14-26-12-17-36-18-13-26/h2-3,6-11,26,28,36H,1,4-5,12-25H2
InChIKeyLALYZNGWBRRKHG-UHFFFAOYSA-N
XLogP6.40
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.21
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(4-chlorophenoxy)methyl]-1-(2-piperidin-4-ylethyl)indol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone 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 1-[2-[(4-chlorophenoxy)methyl]-1-(2-piperidin-4-ylethyl)indol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The IUPAC name of 1-[2-[(4-chlorophenoxy)methyl]-1-(2-piperidin-4-ylethyl)indol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone (CID 10555187) is 1-[2-[(4-chlorophenoxy)methyl]-1-(2-piperidin-4-ylethyl)indol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-[2-[(4-chlorophenoxy)methyl]-1-(2-piperidin-4-ylethyl)indol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-[2-[(4-chlorophenoxy)methyl]-1-(2-piperidin-4-ylethyl)indol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone is O=C(CN1CCC(N2CCCCC2)CC1)c1c(COc2ccc(Cl)cc2)n(CCC2CCNCC2)c2ccccc12.
What is the InChIKey of 1-[2-[(4-chlorophenoxy)methyl]-1-(2-piperidin-4-ylethyl)indol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The InChIKey is LALYZNGWBRRKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H45ClN4O2/c35-27-8-10-29(11-9-27)41-25-32-34(33(40)24-37-21-15-28(16-22-37)38-19-4-1-5-20-38)30-6-2-3-7-31(30)39(32)23-14-26-12-17-36-18-13-26/h2-3,6-11,26,28,36H,1,4-5,12-25H2.
What are the key properties of 1-[2-[(4-chlorophenoxy)methyl]-1-(2-piperidin-4-ylethyl)indol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
1-[2-[(4-chlorophenoxy)methyl]-1-(2-piperidin-4-ylethyl)indol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone has a molecular weight of 577.21 g/mol, XLogP of 6.40, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenoxy)methyl]-1-(2-piperidin-4-ylethyl)indol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 10555187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).