ethyl 1-[(3S)-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate

C24H32N4O4 — CID 93058035

IUPACethyl 1-[(3S)-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)[C@H]2CCCN(c3nc4ccccc4n(CC)c3=O)C2)CC1
InChIInChI=1S/C24H32N4O4/c1-3-28-20-10-6-5-9-19(20)25-21(23(28)30)27-13-7-8-18(16-27)22(29)26-14-11-17(12-15-26)24(31)32-4-2/h5-6,9-10,17-18H,3-4,7-8,11-16H2,1-2H3/t18-/m0/s1
InChIKeyHLUFGMQDKNIHIY-SFHVURJKSA-N
MW440.54 g/mol
LogP2.43
Rot. Bonds5

About ethyl 1-[(3S)-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate

ethyl 1-[(3S)-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate (PubChem CID 93058035) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is ethyl 1-[(3S)-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3S)-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
PubChem CID93058035
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Nameethyl 1-[(3S)-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)[C@H]2CCCN(c3nc4ccccc4n(CC)c3=O)C2)CC1
InChIInChI=1S/C24H32N4O4/c1-3-28-20-10-6-5-9-19(20)25-21(23(28)30)27-13-7-8-18(16-27)22(29)26-14-11-17(12-15-26)24(31)32-4-2/h5-6,9-10,17-18H,3-4,7-8,11-16H2,1-2H3/t18-/m0/s1
InChIKeyHLUFGMQDKNIHIY-SFHVURJKSA-N
XLogP2.43
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[(3S)-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate with MolForge

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Related Compounds

1-ethyl-3-[(3S)-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one
CID 30451457
1-ethyl-3-[(3R)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one
CID 30451481
1-ethyl-3-[(3R)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one
CID 30451443
ethyl 1-[1-(1H-benzimidazol-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 46359174
ethyl 1-[1-(1,3-benzothiazol-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 90609936
(3S)-N-cyclooctyl-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 30454576
1-(4-benzyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxylic acid
CID 53214191
(3R)-N-[(2-ethoxyphenyl)methyl]-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 30454638
(3R)-1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 30454609
[(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 93052335
1-benzyl-3-[4-(cyclobutanecarbonyl)piperazin-1-yl]quinoxalin-2-one
CID 50837523
3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131479

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3S)-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(3S)-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate (CID 93058035) is ethyl 1-[(3S)-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(3S)-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(3S)-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)[C@H]2CCCN(c3nc4ccccc4n(CC)c3=O)C2)CC1.
What is the InChIKey of ethyl 1-[(3S)-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate?
The InChIKey is HLUFGMQDKNIHIY-SFHVURJKSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-3-28-20-10-6-5-9-19(20)25-21(23(28)30)27-13-7-8-18(16-27)22(29)26-14-11-17(12-15-26)24(31)32-4-2/h5-6,9-10,17-18H,3-4,7-8,11-16H2,1-2H3/t18-/m0/s1.
What are the key properties of ethyl 1-[(3S)-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate?
ethyl 1-[(3S)-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate has a molecular weight of 440.54 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3S)-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 93058035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).