(2-ethylpiperidin-1-yl)-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone

C20H26N2O — CID 113211751

IUPAC(2-ethylpiperidin-1-yl)-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone
SMILESCCC1CCCCN1C(=O)C1(c2c(C)[nH]c3ccccc23)CC1
InChIInChI=1S/C20H26N2O/c1-3-15-8-6-7-13-22(15)19(23)20(11-12-20)18-14(2)21-17-10-5-4-9-16(17)18/h4-5,9-10,15,21H,3,6-8,11-13H2,1-2H3
InChIKeyBQDGEUKWHQZROY-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.30
Rot. Bonds3

About (2-ethylpiperidin-1-yl)-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone

(2-ethylpiperidin-1-yl)-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone (PubChem CID 113211751) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone
PubChem CID113211751
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name(2-ethylpiperidin-1-yl)-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone
SMILESCCC1CCCCN1C(=O)C1(c2c(C)[nH]c3ccccc23)CC1
InChIInChI=1S/C20H26N2O/c1-3-15-8-6-7-13-22(15)19(23)20(11-12-20)18-14(2)21-17-10-5-4-9-16(17)18/h4-5,9-10,15,21H,3,6-8,11-13H2,1-2H3
InChIKeyBQDGEUKWHQZROY-UHFFFAOYSA-N
XLogP4.30
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-ethylpiperidin-1-yl)-(1-phenylcyclobutyl)methanone
CID 110487740
2-[(2S)-2-ethylpiperidin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 919474
3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone
CID 113211710
1-(2-methyl-1H-indol-3-yl)-N,N-dipropylcyclopropane-1-carboxamide
CID 113211753
[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(2-ethylpiperidin-1-yl)methanone
CID 108980012
[2-(methylaminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 63249167
(2-ethylazepan-1-yl)-(1H-indol-4-yl)methanone
CID 115672309
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone
CID 113211732
1-(2-ethylpiperidine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 108974951
[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
CID 108978161
2-(1,2-dimethylindol-3-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 113211418
1-(2-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 112695780

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone (CID 113211751) is (2-ethylpiperidin-1-yl)-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone is CCC1CCCCN1C(=O)C1(c2c(C)[nH]c3ccccc23)CC1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone?
The InChIKey is BQDGEUKWHQZROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-3-15-8-6-7-13-22(15)19(23)20(11-12-20)18-14(2)21-17-10-5-4-9-16(17)18/h4-5,9-10,15,21H,3,6-8,11-13H2,1-2H3.
What are the key properties of (2-ethylpiperidin-1-yl)-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone?
(2-ethylpiperidin-1-yl)-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone has a molecular weight of 310.44 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone is sourced from PubChem (CID 113211751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).