2-(1H-indol-3-yl)-1-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanone

C19H25N3O — CID 95712165

IUPAC2-(1H-indol-3-yl)-1-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H](N2CCCC2)C1
InChIInChI=1S/C19H25N3O/c23-19(12-15-13-20-18-8-2-1-7-17(15)18)22-11-5-6-16(14-22)21-9-3-4-10-21/h1-2,7-8,13,16,20H,3-6,9-12,14H2/t16-/m1/s1
InChIKeyGCKKEVTZMXOCGB-MRXNPFEDSA-N
MW311.43 g/mol
LogP2.80
Rot. Bonds3

About 2-(1H-indol-3-yl)-1-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanone

2-(1H-indol-3-yl)-1-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanone (PubChem CID 95712165) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanone
PubChem CID95712165
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2-(1H-indol-3-yl)-1-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H](N2CCCC2)C1
InChIInChI=1S/C19H25N3O/c23-19(12-15-13-20-18-8-2-1-7-17(15)18)22-11-5-6-16(14-22)21-9-3-4-10-21/h1-2,7-8,13,16,20H,3-6,9-12,14H2/t16-/m1/s1
InChIKeyGCKKEVTZMXOCGB-MRXNPFEDSA-N
XLogP2.80
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid
CID 40816462
1-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(1H-indol-3-yl)propan-1-one
CID 94061393
1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 43397905
(2S)-2-amino-3-(1H-indol-3-yl)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
CID 119958014
1-(3-benzoylpiperidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 110394484
1-(4-aminoazepan-1-yl)-2-(1H-indol-3-yl)ethanone
CID 56912314
2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone
CID 62047169
1-[(4S)-4-aminoazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 95726890
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 110806405
1-[(3S)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 124554934
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 106671580
(3S)-N-[(2-chlorophenyl)methyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 40899994

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanone?
The IUPAC name of 2-(1H-indol-3-yl)-1-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanone (CID 95712165) is 2-(1H-indol-3-yl)-1-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(1H-indol-3-yl)-1-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-(1H-indol-3-yl)-1-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanone is O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H](N2CCCC2)C1.
What is the InChIKey of 2-(1H-indol-3-yl)-1-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanone?
The InChIKey is GCKKEVTZMXOCGB-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N3O/c23-19(12-15-13-20-18-8-2-1-7-17(15)18)22-11-5-6-16(14-22)21-9-3-4-10-21/h1-2,7-8,13,16,20H,3-6,9-12,14H2/t16-/m1/s1.
What are the key properties of 2-(1H-indol-3-yl)-1-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanone?
2-(1H-indol-3-yl)-1-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanone has a molecular weight of 311.43 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-1-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanone is sourced from PubChem (CID 95712165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).