(3R)-N-[(4-ethoxyphenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide

C23H26N4O3 — CID 30453509

IUPAC(3R)-N-[(4-ethoxyphenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
SMILESCCOc1ccc(CNC(=O)[C@@H]2CCCN(c3nc4ccccc4[nH]c3=O)C2)cc1
InChIInChI=1S/C23H26N4O3/c1-2-30-18-11-9-16(10-12-18)14-24-22(28)17-6-5-13-27(15-17)21-23(29)26-20-8-4-3-7-19(20)25-21/h3-4,7-12,17H,2,5-6,13-15H2,1H3,(H,24,28)(H,26,29)/t17-/m1/s1
InChIKeyBRVUXQBDMRXQLD-QGZVFWFLSA-N
MW406.49 g/mol
LogP2.85
Rot. Bonds6

About (3R)-N-[(4-ethoxyphenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide

(3R)-N-[(4-ethoxyphenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide (PubChem CID 30453509) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is (3R)-N-[(4-ethoxyphenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(4-ethoxyphenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
PubChem CID30453509
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name(3R)-N-[(4-ethoxyphenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
SMILESCCOc1ccc(CNC(=O)[C@@H]2CCCN(c3nc4ccccc4[nH]c3=O)C2)cc1
InChIInChI=1S/C23H26N4O3/c1-2-30-18-11-9-16(10-12-18)14-24-22(28)17-6-5-13-27(15-17)21-23(29)26-20-8-4-3-7-19(20)25-21/h3-4,7-12,17H,2,5-6,13-15H2,1H3,(H,24,28)(H,26,29)/t17-/m1/s1
InChIKeyBRVUXQBDMRXQLD-QGZVFWFLSA-N
XLogP2.85
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[(4-ethoxyphenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide with MolForge

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Related Compounds

1-(1H-benzimidazol-2-yl)-N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 6620261
N-[(3-fluorophenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
CID 53070417
(3R)-1-(1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 92876810
(3S)-N-[(4-chlorophenyl)methyl]-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047786
N-cycloheptyl-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
CID 53070379
N-(2-methylphenyl)-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
CID 53070397
N-[(4-fluorophenyl)methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752850
(3R)-1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 30454609
(3R)-1-(1H-benzimidazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 92876760
(3S)-1-(1H-benzimidazol-2-yl)-N-propylpiperidine-3-carboxamide
CID 92716066
(3S)-1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92876805
N-[(4-ethoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 22513523

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4-ethoxyphenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(4-ethoxyphenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide (CID 30453509) is (3R)-N-[(4-ethoxyphenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(4-ethoxyphenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(4-ethoxyphenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide is CCOc1ccc(CNC(=O)[C@@H]2CCCN(c3nc4ccccc4[nH]c3=O)C2)cc1.
What is the InChIKey of (3R)-N-[(4-ethoxyphenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide?
The InChIKey is BRVUXQBDMRXQLD-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-2-30-18-11-9-16(10-12-18)14-24-22(28)17-6-5-13-27(15-17)21-23(29)26-20-8-4-3-7-19(20)25-21/h3-4,7-12,17H,2,5-6,13-15H2,1H3,(H,24,28)(H,26,29)/t17-/m1/s1.
What are the key properties of (3R)-N-[(4-ethoxyphenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide?
(3R)-N-[(4-ethoxyphenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4-ethoxyphenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 30453509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).