[7-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone

C21H28ClN3O — CID 69490579

IUPAC[7-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cn(CC3CCCCC3)c3c(Cl)cccc23)CC1
InChIInChI=1S/C21H28ClN3O/c1-23-10-12-24(13-11-23)21(26)18-15-25(14-16-6-3-2-4-7-16)20-17(18)8-5-9-19(20)22/h5,8-9,15-16H,2-4,6-7,10-14H2,1H3
InChIKeyQXRNVSRTMBONDR-UHFFFAOYSA-N
MW373.93 g/mol
LogP4.26
Rot. Bonds3

About [7-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone

[7-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 69490579) has the molecular formula C21H28ClN3O and a molecular weight of 373.93 g/mol. Its IUPAC name is [7-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[7-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID69490579
Molecular FormulaC21H28ClN3O
Molecular Weight373.93 g/mol
Exact Mass373.19
IUPAC Name[7-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cn(CC3CCCCC3)c3c(Cl)cccc23)CC1
InChIInChI=1S/C21H28ClN3O/c1-23-10-12-24(13-11-23)21(26)18-15-25(14-16-6-3-2-4-7-16)20-17(18)8-5-9-19(20)22/h5,8-9,15-16H,2-4,6-7,10-14H2,1H3
InChIKeyQXRNVSRTMBONDR-UHFFFAOYSA-N
XLogP4.26
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.93
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-1-(cyclohexylmethyl)indole-3-carboxylic acid
CID 68674009
[6-bromo-1-(cyclohexylmethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 69491353
[1-(cyclopentylmethyl)-7-methoxyindol-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 59016067
1-(cyclohexylmethyl)-3-(4-methylpiperazine-1-carbonyl)indole-6-carbonitrile
CID 69488577
1-[7-chloro-1-[[(2S)-1-[(E)-1-cyclohexylbut-2-en-2-yl]pyrrolidin-2-yl]methyl]indol-3-yl]ethanone
CID 166932992
[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]-[(2R)-2-[(1S)-1-hydroxyethyl]-4-methylpiperazin-1-yl]methanone
CID 91453210
[(8aS)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]methanone
CID 52949820
[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]-[3-(fluoromethyl)piperazin-1-yl]methanone
CID 69491067
[5-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-ethylpiperazin-1-yl)methanone;hydrochloride
CID 118717936
7-chloro-N-(cycloheptylmethyl)-1-methylindole-3-carboxamide
CID 58011401
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclohexylethanone
CID 78788737
(1-benzylindol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 10735404

Frequently Asked Questions

What is the IUPAC name of [7-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [7-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone (CID 69490579) is [7-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [7-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [7-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cn(CC3CCCCC3)c3c(Cl)cccc23)CC1.
What is the InChIKey of [7-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is QXRNVSRTMBONDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O/c1-23-10-12-24(13-11-23)21(26)18-15-25(14-16-6-3-2-4-7-16)20-17(18)8-5-9-19(20)22/h5,8-9,15-16H,2-4,6-7,10-14H2,1H3.
What are the key properties of [7-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone?
[7-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 373.93 g/mol, XLogP of 4.26, 3 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-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 69490579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).