[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

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Related Compounds

Jwh 203
CID 44397500
2-(4-chlorophenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 44397532
2-(3-chlorophenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 44397713
1-(2-cyclohexylethyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide
CID 10094201
4-(3-Acetyl-6-chloroindol-1-yl)-3-chlorobenzamide
CID 16066442
1-(3-cyclohexylpropyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide
CID 22663341
(S)-1,3''-bipyrrolidin-1''-yl(4-((7-chloro-1H-indol-1-yl)methyl)phenyl)methanone
CID 24825718
10-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-chloro-3-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one
CID 69937087
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide
CID 10873956
1-[(4-carbamoylphenyl)methyl]-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide
CID 44298227
N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(2-phenylethyl)indole-6-carboxamide
CID 44298485
N-(2-chlorophenyl)-2-(3-propanoylindol-1-yl)acetamide
CID 955290

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).