1-[(3R)-1-(2-phenylacetyl)piperidine-3-carbonyl]-2,3-dihydroindole-6-carbonitrile

C23H23N3O2 — CID 100663327

IUPAC1-[(3R)-1-(2-phenylacetyl)piperidine-3-carbonyl]-2,3-dihydroindole-6-carbonitrile
SMILESN#Cc1ccc2c(c1)N(C(=O)[C@@H]1CCCN(C(=O)Cc3ccccc3)C1)CC2
InChIInChI=1S/C23H23N3O2/c24-15-18-8-9-19-10-12-26(21(19)13-18)23(28)20-7-4-11-25(16-20)22(27)14-17-5-2-1-3-6-17/h1-3,5-6,8-9,13,20H,4,7,10-12,14,16H2/t20-/m1/s1
InChIKeyHXJFONMMESCOMH-HXUWFJFHSA-N
MW373.46 g/mol
LogP2.93
Rot. Bonds3

About 1-[(3R)-1-(2-phenylacetyl)piperidine-3-carbonyl]-2,3-dihydroindole-6-carbonitrile

1-[(3R)-1-(2-phenylacetyl)piperidine-3-carbonyl]-2,3-dihydroindole-6-carbonitrile (PubChem CID 100663327) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-[(3R)-1-(2-phenylacetyl)piperidine-3-carbonyl]-2,3-dihydroindole-6-carbonitrile.

Molecular Properties

Compound Name1-[(3R)-1-(2-phenylacetyl)piperidine-3-carbonyl]-2,3-dihydroindole-6-carbonitrile
PubChem CID100663327
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name1-[(3R)-1-(2-phenylacetyl)piperidine-3-carbonyl]-2,3-dihydroindole-6-carbonitrile
SMILESN#Cc1ccc2c(c1)N(C(=O)[C@@H]1CCCN(C(=O)Cc3ccccc3)C1)CC2
InChIInChI=1S/C23H23N3O2/c24-15-18-8-9-19-10-12-26(21(19)13-18)23(28)20-7-4-11-25(16-20)22(27)14-17-5-2-1-3-6-17/h1-3,5-6,8-9,13,20H,4,7,10-12,14,16H2/t20-/m1/s1
InChIKeyHXJFONMMESCOMH-HXUWFJFHSA-N
XLogP2.93
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1,4-diazepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 119418627
1-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 55605700
3-(6-nitro-2,3-dihydroindole-1-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 74650206
1-[3-(4-methylbenzoyl)piperidin-1-yl]-2-phenylethanone
CID 110394612
1-[3-(4-chlorobenzoyl)piperidin-1-yl]-2-phenylethanone
CID 110289396
1-[3-(4-benzoyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 78861461
(3S,4S)-4-methyl-1-[1-(2-phenylacetyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 120952273
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
1-[2-(4-phenylphenyl)acetyl]piperidine-3-carboxylic acid
CID 45429214
1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119487183
1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119469695
1-(2-phenylacetyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 119454204

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(2-phenylacetyl)piperidine-3-carbonyl]-2,3-dihydroindole-6-carbonitrile?
The IUPAC name of 1-[(3R)-1-(2-phenylacetyl)piperidine-3-carbonyl]-2,3-dihydroindole-6-carbonitrile (CID 100663327) is 1-[(3R)-1-(2-phenylacetyl)piperidine-3-carbonyl]-2,3-dihydroindole-6-carbonitrile.
What is the SMILES notation for 1-[(3R)-1-(2-phenylacetyl)piperidine-3-carbonyl]-2,3-dihydroindole-6-carbonitrile?
The canonical SMILES for 1-[(3R)-1-(2-phenylacetyl)piperidine-3-carbonyl]-2,3-dihydroindole-6-carbonitrile is N#Cc1ccc2c(c1)N(C(=O)[C@@H]1CCCN(C(=O)Cc3ccccc3)C1)CC2.
What is the InChIKey of 1-[(3R)-1-(2-phenylacetyl)piperidine-3-carbonyl]-2,3-dihydroindole-6-carbonitrile?
The InChIKey is HXJFONMMESCOMH-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H23N3O2/c24-15-18-8-9-19-10-12-26(21(19)13-18)23(28)20-7-4-11-25(16-20)22(27)14-17-5-2-1-3-6-17/h1-3,5-6,8-9,13,20H,4,7,10-12,14,16H2/t20-/m1/s1.
What are the key properties of 1-[(3R)-1-(2-phenylacetyl)piperidine-3-carbonyl]-2,3-dihydroindole-6-carbonitrile?
1-[(3R)-1-(2-phenylacetyl)piperidine-3-carbonyl]-2,3-dihydroindole-6-carbonitrile has a molecular weight of 373.46 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(2-phenylacetyl)piperidine-3-carbonyl]-2,3-dihydroindole-6-carbonitrile is sourced from PubChem (CID 100663327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).