N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide

C24H29N5O2 — CID 22522822

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
SMILESO=C(NCCCN1CCCC1=O)C1CCN(c2nc3ccccc3n3cccc23)CC1
InChIInChI=1S/C24H29N5O2/c30-22-9-4-13-27(22)14-5-12-25-24(31)18-10-16-28(17-11-18)23-21-8-3-15-29(21)20-7-2-1-6-19(20)26-23/h1-3,6-8,15,18H,4-5,9-14,16-17H2,(H,25,31)
InChIKeyDTUBBTVEGPQFID-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.83
Rot. Bonds6

About N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide (PubChem CID 22522822) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
PubChem CID22522822
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
SMILESO=C(NCCCN1CCCC1=O)C1CCN(c2nc3ccccc3n3cccc23)CC1
InChIInChI=1S/C24H29N5O2/c30-22-9-4-13-27(22)14-5-12-25-24(31)18-10-16-28(17-11-18)23-21-8-3-15-29(21)20-7-2-1-6-19(20)26-23/h1-3,6-8,15,18H,4-5,9-14,16-17H2,(H,25,31)
InChIKeyDTUBBTVEGPQFID-UHFFFAOYSA-N
XLogP2.83
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-pyrrolidin-1-ylpropyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522852
1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 53062491
N-[2-(azepan-1-yl)ethyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522853
N-[3-(4-methylpiperazin-1-yl)propyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522846
N-(2-methoxyethyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 126458585
N-cyclopropyl-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522818
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522803
N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopentanecarboxamide
CID 17217958
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 53062473
1-pyrrolo[1,2-a]quinoxalin-4-yl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 22522868
N-(2-phenylethyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
CID 22522896
N-(3-ethoxypropyl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide
CID 30444209

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide (CID 22522822) is N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide is O=C(NCCCN1CCCC1=O)C1CCN(c2nc3ccccc3n3cccc23)CC1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide?
The InChIKey is DTUBBTVEGPQFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c30-22-9-4-13-27(22)14-5-12-25-24(31)18-10-16-28(17-11-18)23-21-8-3-15-29(21)20-7-2-1-6-19(20)26-23/h1-3,6-8,15,18H,4-5,9-14,16-17H2,(H,25,31).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 22522822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).