2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-(1H-indol-3-yl)ethanone

C17H22N2O2 — CID 109397668

IUPAC2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-(1H-indol-3-yl)ethanone
SMILESCN(CC(=O)c1c[nH]c2ccccc12)CC1CCCC1O
InChIInChI=1S/C17H22N2O2/c1-19(10-12-5-4-8-16(12)20)11-17(21)14-9-18-15-7-3-2-6-13(14)15/h2-3,6-7,9,12,16,18,20H,4-5,8,10-11H2,1H3
InChIKeyLOPKFCRYHLGDFS-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.44
Rot. Bonds5

About 2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-(1H-indol-3-yl)ethanone

2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-(1H-indol-3-yl)ethanone (PubChem CID 109397668) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-(1H-indol-3-yl)ethanone
PubChem CID109397668
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-(1H-indol-3-yl)ethanone
SMILESCN(CC(=O)c1c[nH]c2ccccc12)CC1CCCC1O
InChIInChI=1S/C17H22N2O2/c1-19(10-12-5-4-8-16(12)20)11-17(21)14-9-18-15-7-3-2-6-13(14)15/h2-3,6-7,9,12,16,18,20H,4-5,8,10-11H2,1H3
InChIKeyLOPKFCRYHLGDFS-UHFFFAOYSA-N
XLogP2.44
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 113246464
1-(1H-indol-3-yl)-2-[2-methoxyethyl(methyl)amino]ethanone
CID 61036275
2-[bis(oxolan-2-ylmethyl)amino]-1-(1H-indol-3-yl)ethanone
CID 47077973
2-[cyclopropyl(2-hydroxyethyl)amino]-1-(1H-indol-3-yl)ethanone
CID 62029005
1-(1H-indol-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 60650536
N-(2-amino-2-oxoethyl)-N-cyclopentyl-1H-indole-3-carboxamide
CID 60958792
2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 47406128
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-phenacylacetamide
CID 109397769
4-(1H-indol-3-yl)-N,N-dimethyl-4-oxobutanamide
CID 4999074
3-cyclohexyl-1-(1H-indol-3-yl)propan-1-one
CID 43339260
1-(1H-indol-3-yl)-2-piperidin-1-ium-1-ylethanone
CID 6938363
1-(1H-indol-3-yl)-2-pyrrolidin-2-ylethanone
CID 116916989

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-(1H-indol-3-yl)ethanone?
The IUPAC name of 2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-(1H-indol-3-yl)ethanone (CID 109397668) is 2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-(1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-(1H-indol-3-yl)ethanone is CN(CC(=O)c1c[nH]c2ccccc12)CC1CCCC1O.
What is the InChIKey of 2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-(1H-indol-3-yl)ethanone?
The InChIKey is LOPKFCRYHLGDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-19(10-12-5-4-8-16(12)20)11-17(21)14-9-18-15-7-3-2-6-13(14)15/h2-3,6-7,9,12,16,18,20H,4-5,8,10-11H2,1H3.
What are the key properties of 2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-(1H-indol-3-yl)ethanone?
2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-(1H-indol-3-yl)ethanone has a molecular weight of 286.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 109397668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).