2-[benzyl(methyl)amino]-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]ethanone

C24H31N3O — CID 86936566

IUPAC2-[benzyl(methyl)amino]-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]ethanone
SMILESCN(CC(=O)N1CCC(CN2CCc3ccccc32)CC1)Cc1ccccc1
InChIInChI=1S/C24H31N3O/c1-25(17-20-7-3-2-4-8-20)19-24(28)26-14-11-21(12-15-26)18-27-16-13-22-9-5-6-10-23(22)27/h2-10,21H,11-19H2,1H3
InChIKeyMLTXTHSAOOEGEH-UHFFFAOYSA-N
MW377.53 g/mol
LogP3.42
Rot. Bonds6

About 2-[benzyl(methyl)amino]-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]ethanone

2-[benzyl(methyl)amino]-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 86936566) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]ethanone
PubChem CID86936566
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name2-[benzyl(methyl)amino]-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]ethanone
SMILESCN(CC(=O)N1CCC(CN2CCc3ccccc32)CC1)Cc1ccccc1
InChIInChI=1S/C24H31N3O/c1-25(17-20-7-3-2-4-8-20)19-24(28)26-14-11-21(12-15-26)18-27-16-13-22-9-5-6-10-23(22)27/h2-10,21H,11-19H2,1H3
InChIKeyMLTXTHSAOOEGEH-UHFFFAOYSA-N
XLogP3.42
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzylpiperidin-1-yl)-3-(2,3-dihydroindol-1-yl)propan-1-one
CID 109032481
(E)-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]-4-(dimethylamino)but-2-en-1-one
CID 154872105
(2R)-2-amino-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 119861404
1-[2-[benzyl(methyl)amino]acetyl]piperidin-4-one
CID 60683935
3-(3,4-difluorophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 86936518
(2S)-2-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]butanoic acid
CID 124623164
1-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-2-chloroethanone
CID 66567053
3-[benzyl(methyl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 109014307
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-[benzyl(methyl)amino]ethanone
CID 124689387
[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120939908
2-[benzyl(methyl)amino]-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 56779983
1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propan-1-one
CID 86936560

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[benzyl(methyl)amino]-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]ethanone (CID 86936566) is 2-[benzyl(methyl)amino]-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[benzyl(methyl)amino]-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[benzyl(methyl)amino]-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]ethanone is CN(CC(=O)N1CCC(CN2CCc3ccccc32)CC1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is MLTXTHSAOOEGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-25(17-20-7-3-2-4-8-20)19-24(28)26-14-11-21(12-15-26)18-27-16-13-22-9-5-6-10-23(22)27/h2-10,21H,11-19H2,1H3.
What are the key properties of 2-[benzyl(methyl)amino]-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]ethanone?
2-[benzyl(methyl)amino]-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 377.53 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 86936566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).