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

C25H30N4O3 — CID 30454638

IUPAC(3R)-N-[(2-ethoxyphenyl)methyl]-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
SMILESCCOc1ccccc1CNC(=O)[C@@H]1CCCN(c2nc3ccccc3n(CC)c2=O)C1
InChIInChI=1S/C25H30N4O3/c1-3-29-21-13-7-6-12-20(21)27-23(25(29)31)28-15-9-11-19(17-28)24(30)26-16-18-10-5-8-14-22(18)32-4-2/h5-8,10,12-14,19H,3-4,9,11,15-17H2,1-2H3,(H,26,30)/t19-/m1/s1
InChIKeyGEXSGXWYHNFQIJ-LJQANCHMSA-N
MW434.54 g/mol
LogP3.35
Rot. Bonds7

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

(3R)-N-[(2-ethoxyphenyl)methyl]-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide (PubChem CID 30454638) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is (3R)-N-[(2-ethoxyphenyl)methyl]-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2-ethoxyphenyl)methyl]-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
PubChem CID30454638
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name(3R)-N-[(2-ethoxyphenyl)methyl]-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
SMILESCCOc1ccccc1CNC(=O)[C@@H]1CCCN(c2nc3ccccc3n(CC)c2=O)C1
InChIInChI=1S/C25H30N4O3/c1-3-29-21-13-7-6-12-20(21)27-23(25(29)31)28-15-9-11-19(17-28)24(30)26-16-18-10-5-8-14-22(18)32-4-2/h5-8,10,12-14,19H,3-4,9,11,15-17H2,1-2H3,(H,26,30)/t19-/m1/s1
InChIKeyGEXSGXWYHNFQIJ-LJQANCHMSA-N
XLogP3.35
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 30454609
(3S)-N-cyclooctyl-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 30454576
N-[(2-ethoxyphenyl)methyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide
CID 46328215
1-(4-methyl-3-oxoquinoxalin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 53070339
N-[(2-ethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 71830326
(3R)-N-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 51492751
(3S)-N-[(2-methoxyphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 92889292
N-[(4-ethylphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 53070369
N-[(2,3-dimethoxyphenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
CID 22522901
(3R)-N-[(2-ethoxyphenyl)methyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92745889
N-[(2-ethoxyphenyl)methyl]-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-3-carboxamide
CID 20912267
(3R)-N-[(2-ethoxyphenyl)methyl]-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92745835

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2-ethoxyphenyl)methyl]-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2-ethoxyphenyl)methyl]-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide (CID 30454638) is (3R)-N-[(2-ethoxyphenyl)methyl]-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2-ethoxyphenyl)methyl]-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2-ethoxyphenyl)methyl]-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide is CCOc1ccccc1CNC(=O)[C@@H]1CCCN(c2nc3ccccc3n(CC)c2=O)C1.
What is the InChIKey of (3R)-N-[(2-ethoxyphenyl)methyl]-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide?
The InChIKey is GEXSGXWYHNFQIJ-LJQANCHMSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-3-29-21-13-7-6-12-20(21)27-23(25(29)31)28-15-9-11-19(17-28)24(30)26-16-18-10-5-8-14-22(18)32-4-2/h5-8,10,12-14,19H,3-4,9,11,15-17H2,1-2H3,(H,26,30)/t19-/m1/s1.
What are the key properties of (3R)-N-[(2-ethoxyphenyl)methyl]-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide?
(3R)-N-[(2-ethoxyphenyl)methyl]-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2-ethoxyphenyl)methyl]-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 30454638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).