N-(1-acetyl-2,3-dihydroindol-5-yl)-N-(1-benzylpiperidin-4-yl)cyclopropanecarboxamide

C26H31N3O2 — CID 4135021

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-N-(1-benzylpiperidin-4-yl)cyclopropanecarboxamide
SMILESCC(=O)N1CCc2cc(N(C(=O)C3CC3)C3CCN(Cc4ccccc4)CC3)ccc21
InChIInChI=1S/C26H31N3O2/c1-19(30)28-16-11-22-17-24(9-10-25(22)28)29(26(31)21-7-8-21)23-12-14-27(15-13-23)18-20-5-3-2-4-6-20/h2-6,9-10,17,21,23H,7-8,11-16,18H2,1H3
InChIKeyOTJSRLMNZQOZLK-UHFFFAOYSA-N
MW417.55 g/mol
LogP4.00
Rot. Bonds5

About N-(1-acetyl-2,3-dihydroindol-5-yl)-N-(1-benzylpiperidin-4-yl)cyclopropanecarboxamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-N-(1-benzylpiperidin-4-yl)cyclopropanecarboxamide (PubChem CID 4135021) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-N-(1-benzylpiperidin-4-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-N-(1-benzylpiperidin-4-yl)cyclopropanecarboxamide
PubChem CID4135021
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-N-(1-benzylpiperidin-4-yl)cyclopropanecarboxamide
SMILESCC(=O)N1CCc2cc(N(C(=O)C3CC3)C3CCN(Cc4ccccc4)CC3)ccc21
InChIInChI=1S/C26H31N3O2/c1-19(30)28-16-11-22-17-24(9-10-25(22)28)29(26(31)21-7-8-21)23-12-14-27(15-13-23)18-20-5-3-2-4-6-20/h2-6,9-10,17,21,23H,7-8,11-16,18H2,1H3
InChIKeyOTJSRLMNZQOZLK-UHFFFAOYSA-N
XLogP4.00
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-6-yl)-N-(1-benzylpiperidin-4-yl)-2,2-dimethylpropanamide
CID 4692322
N-(1-acetyl-2,3-dihydroindol-6-yl)-N-(1-benzylpiperidin-4-yl)-5-phenylpenta-2,4-dienamide
CID 72798995
N-(1-acetyl-2,3-dihydroindol-6-yl)-N-(1-benzylpiperidin-4-yl)-3-(3,5-difluorophenyl)prop-2-enamide
CID 69208891
N-(1-acetyl-2,3-dihydroindol-6-yl)-N-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)prop-2-enamide
CID 69211425
1-[5-[benzyl(methyl)amino]-2,3-dihydroindol-1-yl]ethanone
CID 110454560
1-[5-(N-methylanilino)-2,3-dihydroindol-1-yl]ethanone
CID 110454978
(E)-N-(1-acetyl-2,3-dihydroindol-6-yl)-N-(1-benzylpiperidin-3-yl)-3-phenylprop-2-enamide
CID 11375032
1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-carboxamide
CID 51271981
1-[5-(4-benzylpiperazin-1-yl)-2,3-dihydroindol-1-yl]ethanone;1-(6-piperazin-1-yl-2,3-dihydroindol-1-yl)ethanone
CID 161177802
1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one;(E)-but-2-enedioic acid
CID 19108443
(3R)-N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-benzylpiperidine-3-carboxamide
CID 95351102
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-N-(1-benzylpiperidin-4-yl)cyclopropanecarboxamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-N-(1-benzylpiperidin-4-yl)cyclopropanecarboxamide (CID 4135021) is N-(1-acetyl-2,3-dihydroindol-5-yl)-N-(1-benzylpiperidin-4-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-N-(1-benzylpiperidin-4-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-N-(1-benzylpiperidin-4-yl)cyclopropanecarboxamide is CC(=O)N1CCc2cc(N(C(=O)C3CC3)C3CCN(Cc4ccccc4)CC3)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-N-(1-benzylpiperidin-4-yl)cyclopropanecarboxamide?
The InChIKey is OTJSRLMNZQOZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-19(30)28-16-11-22-17-24(9-10-25(22)28)29(26(31)21-7-8-21)23-12-14-27(15-13-23)18-20-5-3-2-4-6-20/h2-6,9-10,17,21,23H,7-8,11-16,18H2,1H3.
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-N-(1-benzylpiperidin-4-yl)cyclopropanecarboxamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-N-(1-benzylpiperidin-4-yl)cyclopropanecarboxamide has a molecular weight of 417.55 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-N-(1-benzylpiperidin-4-yl)cyclopropanecarboxamide is sourced from PubChem (CID 4135021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).