2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone

C21H26N2O2 — CID 963220

IUPAC2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone
SMILESC[C@H]1CCC[C@H](C)N1C(=O)Cn1cc(C(=O)C2CC2)c2ccccc21
InChIInChI=1S/C21H26N2O2/c1-14-6-5-7-15(2)23(14)20(24)13-22-12-18(21(25)16-10-11-16)17-8-3-4-9-19(17)22/h3-4,8-9,12,14-16H,5-7,10-11,13H2,1-2H3/t14-,15-/m0/s1
InChIKeyNOPWFNUFMNOQQI-GJZGRUSLSA-N
MW338.45 g/mol
LogP4.02
Rot. Bonds4

About 2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone

2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone (PubChem CID 963220) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone
PubChem CID963220
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone
SMILESC[C@H]1CCC[C@H](C)N1C(=O)Cn1cc(C(=O)C2CC2)c2ccccc21
InChIInChI=1S/C21H26N2O2/c1-14-6-5-7-15(2)23(14)20(24)13-22-12-18(21(25)16-10-11-16)17-8-3-4-9-19(17)22/h3-4,8-9,12,14-16H,5-7,10-11,13H2,1-2H3/t14-,15-/m0/s1
InChIKeyNOPWFNUFMNOQQI-GJZGRUSLSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]indol-3-yl]butan-1-one
CID 124549553
1-(2,6-dimethylpiperidin-1-yl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]ethanone
CID 3619438
1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indole-3-carbonitrile
CID 3145522
2-[3-(cyclohexanecarbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
CID 654893
2-[3-(cyclohexanecarbonyl)indol-1-yl]acetate
CID 3428348
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-methyl-N-phenylacetamide
CID 21370258
(3aR,7aS)-2-[2-[3-(cyclopropanecarbonyl)indol-1-yl]acetyl]-5-methyl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 138384183
N-tert-butyl-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide
CID 955482
1-(2,6-dimethylpiperidin-1-yl)-2-indol-1-ylethanone
CID 110702430
2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-cyclopropylacetamide
CID 2226331
2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone
CID 135112836
1-(2-methylpiperidin-1-yl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]ethane-1,2-dione
CID 18562371

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone?
The IUPAC name of 2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone (CID 963220) is 2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone is C[C@H]1CCC[C@H](C)N1C(=O)Cn1cc(C(=O)C2CC2)c2ccccc21.
What is the InChIKey of 2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone?
The InChIKey is NOPWFNUFMNOQQI-GJZGRUSLSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-14-6-5-7-15(2)23(14)20(24)13-22-12-18(21(25)16-10-11-16)17-8-3-4-9-19(17)22/h3-4,8-9,12,14-16H,5-7,10-11,13H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of 2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone?
2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone has a molecular weight of 338.45 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone is sourced from PubChem (CID 963220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).