[1-(dimethylamino)cyclopentyl]-(1-methylindol-3-yl)methanone

C17H22N2O — CID 14069774

IUPAC[1-(dimethylamino)cyclopentyl]-(1-methylindol-3-yl)methanone
SMILESCN(C)C1(C(=O)c2cn(C)c3ccccc23)CCCC1
InChIInChI=1S/C17H22N2O/c1-18(2)17(10-6-7-11-17)16(20)14-12-19(3)15-9-5-4-8-13(14)15/h4-5,8-9,12H,6-7,10-11H2,1-3H3
InChIKeyJEPCMEKZPJOFMM-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.24
Rot. Bonds3

About [1-(dimethylamino)cyclopentyl]-(1-methylindol-3-yl)methanone

[1-(dimethylamino)cyclopentyl]-(1-methylindol-3-yl)methanone (PubChem CID 14069774) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is [1-(dimethylamino)cyclopentyl]-(1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name[1-(dimethylamino)cyclopentyl]-(1-methylindol-3-yl)methanone
PubChem CID14069774
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name[1-(dimethylamino)cyclopentyl]-(1-methylindol-3-yl)methanone
SMILESCN(C)C1(C(=O)c2cn(C)c3ccccc23)CCCC1
InChIInChI=1S/C17H22N2O/c1-18(2)17(10-6-7-11-17)16(20)14-12-19(3)15-9-5-4-8-13(14)15/h4-5,8-9,12H,6-7,10-11H2,1-3H3
InChIKeyJEPCMEKZPJOFMM-UHFFFAOYSA-N
XLogP3.24
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylindole-3-carbonyl)cyclopropane-1-carboxylic acid
CID 116920986
(1-methylindol-3-yl)-(1-phenylcyclopropyl)methanone
CID 62877077
1-(1-methylindole-3-carbonyl)cyclobutane-1-carbonitrile
CID 116921524
2-(1-methylindol-3-yl)-2-oxoacetamide
CID 594179
1-[(1-methylindole-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 120538552
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
1-methylindole-3-carbothioic S-acid
CID 116918837
[3-(hydroxymethyl)oxetan-3-yl]-(1-methylindol-3-yl)methanone
CID 116922589
1-[methyl-[3-(1-methylindol-3-yl)propanoyl]amino]cyclopentane-1-carboxamide
CID 75498930
ethane;2-(1-methylindol-3-yl)-2-oxoacetic acid
CID 91016552
1-methyl-N-phenylindole-3-carboxamide
CID 9038340

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)cyclopentyl]-(1-methylindol-3-yl)methanone?
The IUPAC name of [1-(dimethylamino)cyclopentyl]-(1-methylindol-3-yl)methanone (CID 14069774) is [1-(dimethylamino)cyclopentyl]-(1-methylindol-3-yl)methanone.
What is the SMILES notation for [1-(dimethylamino)cyclopentyl]-(1-methylindol-3-yl)methanone?
The canonical SMILES for [1-(dimethylamino)cyclopentyl]-(1-methylindol-3-yl)methanone is CN(C)C1(C(=O)c2cn(C)c3ccccc23)CCCC1.
What is the InChIKey of [1-(dimethylamino)cyclopentyl]-(1-methylindol-3-yl)methanone?
The InChIKey is JEPCMEKZPJOFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-18(2)17(10-6-7-11-17)16(20)14-12-19(3)15-9-5-4-8-13(14)15/h4-5,8-9,12H,6-7,10-11H2,1-3H3.
What are the key properties of [1-(dimethylamino)cyclopentyl]-(1-methylindol-3-yl)methanone?
[1-(dimethylamino)cyclopentyl]-(1-methylindol-3-yl)methanone has a molecular weight of 270.38 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)cyclopentyl]-(1-methylindol-3-yl)methanone is sourced from PubChem (CID 14069774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).