[(2R)-1-benzoyl-2,3-dihydroindol-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone

C26H31N3O2 — CID 92710287

IUPAC[(2R)-1-benzoyl-2,3-dihydroindol-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone
SMILESO=C([C@H]1Cc2ccccc2N1C(=O)c1ccccc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C26H31N3O2/c30-25(20-9-3-1-4-10-20)29-23-14-8-7-11-21(23)19-24(29)26(31)28-17-15-27(16-18-28)22-12-5-2-6-13-22/h1,3-4,7-11,14,22,24H,2,5-6,12-13,15-19H2/t24-/m1/s1
InChIKeyRWVTWMGNYVSTBF-XMMPIXPASA-N
MW417.55 g/mol
LogP3.73
Rot. Bonds3

About [(2R)-1-benzoyl-2,3-dihydroindol-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone

[(2R)-1-benzoyl-2,3-dihydroindol-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone (PubChem CID 92710287) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is [(2R)-1-benzoyl-2,3-dihydroindol-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(2R)-1-benzoyl-2,3-dihydroindol-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone
PubChem CID92710287
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC Name[(2R)-1-benzoyl-2,3-dihydroindol-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone
SMILESO=C([C@H]1Cc2ccccc2N1C(=O)c1ccccc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C26H31N3O2/c30-25(20-9-3-1-4-10-20)29-23-14-8-7-11-21(23)19-24(29)26(31)28-17-15-27(16-18-28)22-12-5-2-6-13-22/h1,3-4,7-11,14,22,24H,2,5-6,12-13,15-19H2/t24-/m1/s1
InChIKeyRWVTWMGNYVSTBF-XMMPIXPASA-N
XLogP3.73
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-benzoyl-2,3-dihydroindol-2-yl)-morpholin-4-ylmethanone
CID 20954563
1-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 174565327
(1-benzoyl-2,3-dihydroindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 20954567
(4-cyclopentylpiperazin-1-yl)-(4-phenoxyphenyl)methanone
CID 55584193
1-[2-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 20954459
(2S)-2-[(3R)-3-methylpiperidine-1-carbonyl]-2,3-dihydroindole-1-carboxylic acid
CID 69275495
N-[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338616
1-[(2S)-2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 136580467
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
1-[2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 20954290
(2S)-1-(azepane-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 64563855
(4-aminophenyl)-(4-cyclohexyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)methanone
CID 19608040

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-benzoyl-2,3-dihydroindol-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone?
The IUPAC name of [(2R)-1-benzoyl-2,3-dihydroindol-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone (CID 92710287) is [(2R)-1-benzoyl-2,3-dihydroindol-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone.
What is the SMILES notation for [(2R)-1-benzoyl-2,3-dihydroindol-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone?
The canonical SMILES for [(2R)-1-benzoyl-2,3-dihydroindol-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone is O=C([C@H]1Cc2ccccc2N1C(=O)c1ccccc1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of [(2R)-1-benzoyl-2,3-dihydroindol-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone?
The InChIKey is RWVTWMGNYVSTBF-XMMPIXPASA-N. The full InChI is InChI=1S/C26H31N3O2/c30-25(20-9-3-1-4-10-20)29-23-14-8-7-11-21(23)19-24(29)26(31)28-17-15-27(16-18-28)22-12-5-2-6-13-22/h1,3-4,7-11,14,22,24H,2,5-6,12-13,15-19H2/t24-/m1/s1.
What are the key properties of [(2R)-1-benzoyl-2,3-dihydroindol-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone?
[(2R)-1-benzoyl-2,3-dihydroindol-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone has a molecular weight of 417.55 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-benzoyl-2,3-dihydroindol-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone is sourced from PubChem (CID 92710287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).