1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide

C24H28N4O2S — CID 30444349

IUPAC1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide
SMILESCCn1c(=O)c(N2CCC(C(=O)NCc3ccc(SC)cc3)CC2)nc2ccccc21
InChIInChI=1S/C24H28N4O2S/c1-3-28-21-7-5-4-6-20(21)26-22(24(28)30)27-14-12-18(13-15-27)23(29)25-16-17-8-10-19(31-2)11-9-17/h4-11,18H,3,12-16H2,1-2H3,(H,25,29)
InChIKeyLJSCRNTVURLPII-UHFFFAOYSA-N
MW436.58 g/mol
LogP3.67
Rot. Bonds6

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

1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 30444349) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is 1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide
PubChem CID30444349
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC Name1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide
SMILESCCn1c(=O)c(N2CCC(C(=O)NCc3ccc(SC)cc3)CC2)nc2ccccc21
InChIInChI=1S/C24H28N4O2S/c1-3-28-21-7-5-4-6-20(21)26-22(24(28)30)27-14-12-18(13-15-27)23(29)25-16-17-8-10-19(31-2)11-9-17/h4-11,18H,3,12-16H2,1-2H3,(H,25,29)
InChIKeyLJSCRNTVURLPII-UHFFFAOYSA-N
XLogP3.67
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-ethylpiperidine-4-carboxamide
CID 53062468
(3R)-1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 30454609
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-propylpiperidine-4-carboxamide
CID 30444827
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 30445028
1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 53062491
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 30444897
N-benzyl-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide
CID 53070083
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-benzyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide
CID 30444920
N-[3-[cyclohexyl(methyl)amino]propyl]-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide
CID 53062510
N-[(4-ethylphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 53070369
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 53062473
N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969775

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide (CID 30444349) is 1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide is CCn1c(=O)c(N2CCC(C(=O)NCc3ccc(SC)cc3)CC2)nc2ccccc21.
What is the InChIKey of 1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is LJSCRNTVURLPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-3-28-21-7-5-4-6-20(21)26-22(24(28)30)27-14-12-18(13-15-27)23(29)25-16-17-8-10-19(31-2)11-9-17/h4-11,18H,3,12-16H2,1-2H3,(H,25,29).
What are the key properties of 1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide?
1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 436.58 g/mol, XLogP of 3.67, 6 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-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 30444349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).