N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide

C20H26N4O3 — CID 127286144

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide
SMILESCC(=O)N1CCc2cc(NC(=O)N3CCC(N4CCCC4=O)CC3)ccc21
InChIInChI=1S/C20H26N4O3/c1-14(25)23-12-6-15-13-16(4-5-18(15)23)21-20(27)22-10-7-17(8-11-22)24-9-2-3-19(24)26/h4-5,13,17H,2-3,6-12H2,1H3,(H,21,27)
InChIKeyGLIRMNKGGWBFMJ-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.21
Rot. Bonds2

About N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide (PubChem CID 127286144) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide
PubChem CID127286144
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide
SMILESCC(=O)N1CCc2cc(NC(=O)N3CCC(N4CCCC4=O)CC3)ccc21
InChIInChI=1S/C20H26N4O3/c1-14(25)23-12-6-15-13-16(4-5-18(15)23)21-20(27)22-10-7-17(8-11-22)24-9-2-3-19(24)26/h4-5,13,17H,2-3,6-12H2,1H3,(H,21,27)
InChIKeyGLIRMNKGGWBFMJ-UHFFFAOYSA-N
XLogP2.21
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide (CID 127286144) is N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide is CC(=O)N1CCc2cc(NC(=O)N3CCC(N4CCCC4=O)CC3)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide?
The InChIKey is GLIRMNKGGWBFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-14(25)23-12-6-15-13-16(4-5-18(15)23)21-20(27)22-10-7-17(8-11-22)24-9-2-3-19(24)26/h4-5,13,17H,2-3,6-12H2,1H3,(H,21,27).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 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)-4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 127286144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).