[4-(2-cyclohexylethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone

C21H29N3O — CID 22660610

IUPAC[4-(2-cyclohexylethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(CCC2CCCCC2)CC1
InChIInChI=1S/C21H29N3O/c25-21(20-16-18-8-4-5-9-19(18)22-20)24-14-12-23(13-15-24)11-10-17-6-2-1-3-7-17/h4-5,8-9,16-17,22H,1-3,6-7,10-15H2
InChIKeyZTAFKZVQNBOCBV-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.90
Rot. Bonds4

About [4-(2-cyclohexylethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone

[4-(2-cyclohexylethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone (PubChem CID 22660610) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is [4-(2-cyclohexylethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-cyclohexylethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
PubChem CID22660610
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name[4-(2-cyclohexylethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(CCC2CCCCC2)CC1
InChIInChI=1S/C21H29N3O/c25-21(20-16-18-8-4-5-9-19(18)22-20)24-14-12-23(13-15-24)11-10-17-6-2-1-3-7-17/h4-5,8-9,16-17,22H,1-3,6-7,10-15H2
InChIKeyZTAFKZVQNBOCBV-UHFFFAOYSA-N
XLogP3.90
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(1H-indole-2-carbonyl)piperazin-1-yl]butanenitrile
CID 51107120
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
1H-indol-2-yl-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53037973
1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-5-piperidin-1-ylpentane-1,5-dione
CID 29140624
1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250609
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 62349587
1H-indol-2-yl-(3-propylpyrrolidin-1-yl)methanone
CID 112695865
[4-(2,2-dimethoxyethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 167764803
1H-indol-2-yl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226484
(3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 62069186
1H-indol-2-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 42572629
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671

Frequently Asked Questions

What is the IUPAC name of [4-(2-cyclohexylethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [4-(2-cyclohexylethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone (CID 22660610) is [4-(2-cyclohexylethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [4-(2-cyclohexylethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [4-(2-cyclohexylethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone is O=C(c1cc2ccccc2[nH]1)N1CCN(CCC2CCCCC2)CC1.
What is the InChIKey of [4-(2-cyclohexylethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone?
The InChIKey is ZTAFKZVQNBOCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c25-21(20-16-18-8-4-5-9-19(18)22-20)24-14-12-23(13-15-24)11-10-17-6-2-1-3-7-17/h4-5,8-9,16-17,22H,1-3,6-7,10-15H2.
What are the key properties of [4-(2-cyclohexylethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone?
[4-(2-cyclohexylethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone has a molecular weight of 339.48 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-cyclohexylethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 22660610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).