[7-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-ethylpiperazin-1-yl)methanone;hydrochloride

C22H31Cl2N3O — CID 118717859

IUPAC[7-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-ethylpiperazin-1-yl)methanone;hydrochloride
SMILESCCN1CCN(C(=O)c2cn(CC3CCCCC3)c3c(Cl)cccc23)CC1.Cl
InChIInChI=1S/C22H30ClN3O.ClH/c1-2-24-11-13-25(14-12-24)22(27)19-16-26(15-17-7-4-3-5-8-17)21-18(19)9-6-10-20(21)23;/h6,9-10,16-17H,2-5,7-8,11-15H2,1H3;1H
InChIKeyAHGWAIIBUTYNFT-UHFFFAOYSA-N
MW424.42 g/mol
LogP5.07
Rot. Bonds4

About [7-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-ethylpiperazin-1-yl)methanone;hydrochloride

[7-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-ethylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 118717859) has the molecular formula C22H31Cl2N3O and a molecular weight of 424.42 g/mol. Its IUPAC name is [7-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-ethylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[7-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-ethylpiperazin-1-yl)methanone;hydrochloride
PubChem CID118717859
Molecular FormulaC22H31Cl2N3O
Molecular Weight424.42 g/mol
Exact Mass423.18
IUPAC Name[7-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-ethylpiperazin-1-yl)methanone;hydrochloride
SMILESCCN1CCN(C(=O)c2cn(CC3CCCCC3)c3c(Cl)cccc23)CC1.Cl
InChIInChI=1S/C22H30ClN3O.ClH/c1-2-24-11-13-25(14-12-24)22(27)19-16-26(15-17-7-4-3-5-8-17)21-18(19)9-6-10-20(21)23;/h6,9-10,16-17H,2-5,7-8,11-15H2,1H3;1H
InChIKeyAHGWAIIBUTYNFT-UHFFFAOYSA-N
XLogP5.07
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.42
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [7-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-ethylpiperazin-1-yl)methanone;hydrochloride 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 [7-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-ethylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of [7-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-ethylpiperazin-1-yl)methanone;hydrochloride (CID 118717859) is [7-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-ethylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [7-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-ethylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for [7-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-ethylpiperazin-1-yl)methanone;hydrochloride is CCN1CCN(C(=O)c2cn(CC3CCCCC3)c3c(Cl)cccc23)CC1.Cl.
What is the InChIKey of [7-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-ethylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is AHGWAIIBUTYNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN3O.ClH/c1-2-24-11-13-25(14-12-24)22(27)19-16-26(15-17-7-4-3-5-8-17)21-18(19)9-6-10-20(21)23;/h6,9-10,16-17H,2-5,7-8,11-15H2,1H3;1H.
What are the key properties of [7-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-ethylpiperazin-1-yl)methanone;hydrochloride?
[7-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-ethylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 424.42 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-ethylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 118717859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).