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

C28H34ClN3O2 — CID 10672357

IUPAC1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESCn1c(COc2ccc(Cl)cc2)c(C(=O)CN2CCC(N3CCCCC3)CC2)c2ccccc21
InChIInChI=1S/C28H34ClN3O2/c1-30-25-8-4-3-7-24(25)28(26(30)20-34-23-11-9-21(29)10-12-23)27(33)19-31-17-13-22(14-18-31)32-15-5-2-6-16-32/h3-4,7-12,22H,2,5-6,13-20H2,1H3
InChIKeyUSPYPWGLVYWPCV-UHFFFAOYSA-N
MW480.05 g/mol
LogP5.54
Rot. Bonds7

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

1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone (PubChem CID 10672357) has the molecular formula C28H34ClN3O2 and a molecular weight of 480.05 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
PubChem CID10672357
Molecular FormulaC28H34ClN3O2
Molecular Weight480.05 g/mol
Exact Mass479.23
IUPAC Name1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESCn1c(COc2ccc(Cl)cc2)c(C(=O)CN2CCC(N3CCCCC3)CC2)c2ccccc21
InChIInChI=1S/C28H34ClN3O2/c1-30-25-8-4-3-7-24(25)28(26(30)20-34-23-11-9-21(29)10-12-23)27(33)19-31-17-13-22(14-18-31)32-15-5-2-6-16-32/h3-4,7-12,22H,2,5-6,13-20H2,1H3
InChIKeyUSPYPWGLVYWPCV-UHFFFAOYSA-N
XLogP5.54
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.05
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-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

Related Compounds

1-((4-Chlorophenyl)methyl)-3-(3,3-dimethyl-1-oxobutyl)-alpha,alpha-dimethyl-5-(2-quinolinylmethoxy)-1H-indole-2-propanoic acid
CID 11758240
Z5M5FX29YG
CID 9916525
(RS) 2-[(4-chlorophenoxy)methyl]-1-[3-(piperidin-3-yl)propyl]-3-[[4-(piperidin-1-yl)piperidin-1-yl]acetyl]-1H-indole
CID 10326097
2-(4-chlorophenoxy)-1-methyl-1H-indole-3-carbaldehyde
CID 2763801
[2-Chloro-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone
CID 9978225
(2-Methoxy-phenyl)-[2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-indol-3-yl]-methanone
CID 10362283
2-(4-Chloro-phenoxymethyl)-1-methyl-3-(2-piperidin-1-yl-ethyl)-1H-indole
CID 10524003
1-[2-[(4-chlorophenoxy)methyl]-1-[3-[(3R)-piperidin-3-yl]propyl]indol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 10531484
2-[(4-Chlorophenoxy)methyl]-1-(2-piperidin-1-ylethyl)-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indole
CID 10554658
1-[2-[(4-Chlorophenoxy)methyl]-1-(2-piperidin-4-ylethyl)indol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 10555187
1-methyl-2-(4-chlorophenoxymethyl)-3-[2-[4-(piperidin-1-yl)piperidin-1-yl]-1,2-ethanedionyl]-1H-indole
CID 10625004
1''-[2-(4-Chloro-phenoxymethyl)-1-methyl-1H-indol-3-ylmethyl]-[1,4'']bipiperidinyl
CID 10671331

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The IUPAC name of 1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone (CID 10672357) is 1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone is Cn1c(COc2ccc(Cl)cc2)c(C(=O)CN2CCC(N3CCCCC3)CC2)c2ccccc21.
What is the InChIKey of 1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The InChIKey is USPYPWGLVYWPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34ClN3O2/c1-30-25-8-4-3-7-24(25)28(26(30)20-34-23-11-9-21(29)10-12-23)27(33)19-31-17-13-22(14-18-31)32-15-5-2-6-16-32/h3-4,7-12,22H,2,5-6,13-20H2,1H3.
What are the key properties of 1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone has a molecular weight of 480.05 g/mol, XLogP of 5.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 10672357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).