[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-piperidin-1-ylmethanone

C21H24N2O — CID 38000598

IUPAC[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(CN2CCc3ccccc32)cc1)N1CCCCC1
InChIInChI=1S/C21H24N2O/c24-21(22-13-4-1-5-14-22)19-10-8-17(9-11-19)16-23-15-12-18-6-2-3-7-20(18)23/h2-3,6-11H,1,4-5,12-16H2
InChIKeyMLMAZKWINGSSSB-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.88
Rot. Bonds3

About [4-(2,3-dihydroindol-1-ylmethyl)phenyl]-piperidin-1-ylmethanone

[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-piperidin-1-ylmethanone (PubChem CID 38000598) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is [4-(2,3-dihydroindol-1-ylmethyl)phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
PubChem CID38000598
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(CN2CCc3ccccc32)cc1)N1CCCCC1
InChIInChI=1S/C21H24N2O/c24-21(22-13-4-1-5-14-22)19-10-8-17(9-11-19)16-23-15-12-18-6-2-3-7-20(18)23/h2-3,6-11H,1,4-5,12-16H2
InChIKeyMLMAZKWINGSSSB-UHFFFAOYSA-N
XLogP3.88
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-benzylpiperazin-1-yl)-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanone
CID 99955888
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 46762925
4-(2,3-dihydroindol-1-ylmethyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 43908264
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 92675302
methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate
CID 6473082
[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 42929862
[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 99950717
4-(2,3-dihydroindol-1-ylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 28569389
2-(2-aminophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]ethanone
CID 147623744
[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 99953653
N-(4-acetamidophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 46771578
N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide
CID 110984418

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydroindol-1-ylmethyl)phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(2,3-dihydroindol-1-ylmethyl)phenyl]-piperidin-1-ylmethanone (CID 38000598) is [4-(2,3-dihydroindol-1-ylmethyl)phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(2,3-dihydroindol-1-ylmethyl)phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(2,3-dihydroindol-1-ylmethyl)phenyl]-piperidin-1-ylmethanone is O=C(c1ccc(CN2CCc3ccccc32)cc1)N1CCCCC1.
What is the InChIKey of [4-(2,3-dihydroindol-1-ylmethyl)phenyl]-piperidin-1-ylmethanone?
The InChIKey is MLMAZKWINGSSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c24-21(22-13-4-1-5-14-22)19-10-8-17(9-11-19)16-23-15-12-18-6-2-3-7-20(18)23/h2-3,6-11H,1,4-5,12-16H2.
What are the key properties of [4-(2,3-dihydroindol-1-ylmethyl)phenyl]-piperidin-1-ylmethanone?
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-piperidin-1-ylmethanone has a molecular weight of 320.44 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydroindol-1-ylmethyl)phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 38000598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).