2-[3-(cyclohexanecarbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone

C21H26N2O2 — CID 654893

IUPAC2-[3-(cyclohexanecarbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(c1cn(CC(=O)N2CCCC2)c2ccccc12)C1CCCCC1
InChIInChI=1S/C21H26N2O2/c24-20(22-12-6-7-13-22)15-23-14-18(17-10-4-5-11-19(17)23)21(25)16-8-2-1-3-9-16/h4-5,10-11,14,16H,1-3,6-9,12-13,15H2
InChIKeyJKEAXWJIVRRFEI-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.03
Rot. Bonds4

About 2-[3-(cyclohexanecarbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone

2-[3-(cyclohexanecarbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 654893) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[3-(cyclohexanecarbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-(cyclohexanecarbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID654893
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-[3-(cyclohexanecarbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(c1cn(CC(=O)N2CCCC2)c2ccccc12)C1CCCCC1
InChIInChI=1S/C21H26N2O2/c24-20(22-12-6-7-13-22)15-23-14-18(17-10-4-5-11-19(17)23)21(25)16-8-2-1-3-9-16/h4-5,10-11,14,16H,1-3,6-9,12-13,15H2
InChIKeyJKEAXWJIVRRFEI-UHFFFAOYSA-N
XLogP4.03
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(azepan-1-yl)-2-oxoethyl]indole-3-carboxylic acid
CID 43825868
2-[3-(cyclohexanecarbonyl)indol-1-yl]acetate
CID 3428348
2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone
CID 135112836
2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-cyclopropylacetamide
CID 2226331
2,2-dimethyl-1-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]propan-1-one
CID 1095445
1-(2-methylpiperidin-1-yl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]ethane-1,2-dione
CID 18562371
N-tert-butyl-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide
CID 955482
2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone
CID 963220
2-(3-methylindol-1-yl)-1-piperidin-1-ylethanone
CID 49371096
[1-[(2-chlorophenyl)methyl]indol-3-yl]-cyclohexylmethanone
CID 4319147
2-[3-(aminomethyl)indol-1-yl]-1-piperidin-1-ylethanone
CID 66407285
N,N-diethyl-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide
CID 7066716

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexanecarbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[3-(cyclohexanecarbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone (CID 654893) is 2-[3-(cyclohexanecarbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[3-(cyclohexanecarbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[3-(cyclohexanecarbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone is O=C(c1cn(CC(=O)N2CCCC2)c2ccccc12)C1CCCCC1.
What is the InChIKey of 2-[3-(cyclohexanecarbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is JKEAXWJIVRRFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c24-20(22-12-6-7-13-22)15-23-14-18(17-10-4-5-11-19(17)23)21(25)16-8-2-1-3-9-16/h4-5,10-11,14,16H,1-3,6-9,12-13,15H2.
What are the key properties of 2-[3-(cyclohexanecarbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone?
2-[3-(cyclohexanecarbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 338.45 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexanecarbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 654893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).