1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide

C23H31N5O3 — CID 53062491

IUPAC1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
SMILESCCn1c(=O)c(N2CCC(C(=O)NCCCN3CCCC3=O)CC2)nc2ccccc21
InChIInChI=1S/C23H31N5O3/c1-2-28-19-8-4-3-7-18(19)25-21(23(28)31)27-15-10-17(11-16-27)22(30)24-12-6-14-26-13-5-9-20(26)29/h3-4,7-8,17H,2,5-6,9-16H2,1H3,(H,24,30)
InChIKeyFYKUTZFBUKHOFQ-UHFFFAOYSA-N
MW425.53 g/mol
LogP1.76
Rot. Bonds7

About 1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide

1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide (PubChem CID 53062491) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is 1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
PubChem CID53062491
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC Name1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
SMILESCCn1c(=O)c(N2CCC(C(=O)NCCCN3CCCC3=O)CC2)nc2ccccc21
InChIInChI=1S/C23H31N5O3/c1-2-28-19-8-4-3-7-18(19)25-21(23(28)31)27-15-10-17(11-16-27)22(30)24-12-6-14-26-13-5-9-20(26)29/h3-4,7-8,17H,2,5-6,9-16H2,1H3,(H,24,30)
InChIKeyFYKUTZFBUKHOFQ-UHFFFAOYSA-N
XLogP1.76
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522822
N-[3-[cyclohexyl(methyl)amino]propyl]-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide
CID 53062510
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 53062473
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-propylpiperidine-4-carboxamide
CID 30444827
1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide
CID 30444349
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-ethylpiperidine-4-carboxamide
CID 53062468
N-(3-ethoxypropyl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide
CID 30444209
1-(1-ethylbenzimidazol-2-yl)-N-(4-hydroxybutyl)piperidine-4-carboxamide
CID 16669306
N-(3-methoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide
CID 30445985
N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopentanecarboxamide
CID 17217958
N-(3-pyrrolidin-1-ylpropyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522852
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[3-(diethylamino)propyl]piperidine-3-carboxamide
CID 53070172

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide (CID 53062491) is 1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide is CCn1c(=O)c(N2CCC(C(=O)NCCCN3CCCC3=O)CC2)nc2ccccc21.
What is the InChIKey of 1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide?
The InChIKey is FYKUTZFBUKHOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3/c1-2-28-19-8-4-3-7-18(19)25-21(23(28)31)27-15-10-17(11-16-27)22(30)24-12-6-14-26-13-5-9-20(26)29/h3-4,7-8,17H,2,5-6,9-16H2,1H3,(H,24,30).
What are the key properties of 1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide?
1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 53062491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).