[1-(cyclopentylmethyl)-7-methoxyindol-3-yl]-(4-ethylpiperazin-1-yl)methanone

C22H31N3O2 — CID 59016067

IUPAC[1-(cyclopentylmethyl)-7-methoxyindol-3-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cn(CC3CCCC3)c3c(OC)cccc23)CC1
InChIInChI=1S/C22H31N3O2/c1-3-23-11-13-24(14-12-23)22(26)19-16-25(15-17-7-4-5-8-17)21-18(19)9-6-10-20(21)27-2/h6,9-10,16-17H,3-5,7-8,11-15H2,1-2H3
InChIKeyXDHXSEXEARLZLF-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.62
Rot. Bonds5

About [1-(cyclopentylmethyl)-7-methoxyindol-3-yl]-(4-ethylpiperazin-1-yl)methanone

[1-(cyclopentylmethyl)-7-methoxyindol-3-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 59016067) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is [1-(cyclopentylmethyl)-7-methoxyindol-3-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(cyclopentylmethyl)-7-methoxyindol-3-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID59016067
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name[1-(cyclopentylmethyl)-7-methoxyindol-3-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cn(CC3CCCC3)c3c(OC)cccc23)CC1
InChIInChI=1S/C22H31N3O2/c1-3-23-11-13-24(14-12-23)22(26)19-16-25(15-17-7-4-5-8-17)21-18(19)9-6-10-20(21)27-2/h6,9-10,16-17H,3-5,7-8,11-15H2,1-2H3
InChIKeyXDHXSEXEARLZLF-UHFFFAOYSA-N
XLogP3.62
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzyl-7-methoxyindol-3-yl)-(4-ethylpiperazin-1-yl)methanone
CID 59016065
[(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
1-(cyclohexylmethyl)-7-methoxyindole-3-carbonyl cyanide
CID 86613200
[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]-[(2R)-2-[(1S)-1-hydroxyethyl]-4-methylpiperazin-1-yl]methanone
CID 91453210
[7-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 69490579
[5-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-ethylpiperazin-1-yl)methanone;hydrochloride
CID 118717936
[(6S,8aR)-6,8a-dimethyl-3,5,6,8-tetrahydro-1H-[1,3]thiazolo[3,4-a]pyrazin-7-yl]-[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]methanone;hydrochloride
CID 52946150
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone
CID 95751553
(11-cyclopentyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-(4-ethylpiperazin-1-yl)methanone;hydrochloride
CID 68675643
methyl 5-[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]-1,3-thiazole-2-carboxylate
CID 68700705
7-chloro-1-(cyclohexylmethyl)indole-3-carboxylic acid
CID 68674009

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylmethyl)-7-methoxyindol-3-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [1-(cyclopentylmethyl)-7-methoxyindol-3-yl]-(4-ethylpiperazin-1-yl)methanone (CID 59016067) is [1-(cyclopentylmethyl)-7-methoxyindol-3-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(cyclopentylmethyl)-7-methoxyindol-3-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(cyclopentylmethyl)-7-methoxyindol-3-yl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cn(CC3CCCC3)c3c(OC)cccc23)CC1.
What is the InChIKey of [1-(cyclopentylmethyl)-7-methoxyindol-3-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is XDHXSEXEARLZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-3-23-11-13-24(14-12-23)22(26)19-16-25(15-17-7-4-5-8-17)21-18(19)9-6-10-20(21)27-2/h6,9-10,16-17H,3-5,7-8,11-15H2,1-2H3.
What are the key properties of [1-(cyclopentylmethyl)-7-methoxyindol-3-yl]-(4-ethylpiperazin-1-yl)methanone?
[1-(cyclopentylmethyl)-7-methoxyindol-3-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 369.51 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylmethyl)-7-methoxyindol-3-yl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 59016067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).