(3S)-1-(3-ethoxyquinoxalin-2-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide

C24H28N4O3 — CID 97047734

IUPAC(3S)-1-(3-ethoxyquinoxalin-2-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
SMILESCCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2cc(C)ccc2OC)C1
InChIInChI=1S/C24H28N4O3/c1-4-31-24-22(25-18-9-5-6-10-19(18)27-24)28-13-7-8-17(15-28)23(29)26-20-14-16(2)11-12-21(20)30-3/h5-6,9-12,14,17H,4,7-8,13,15H2,1-3H3,(H,26,29)/t17-/m0/s1
InChIKeyFTYQZOSZNWNJPS-KRWDZBQOSA-N
MW420.51 g/mol
LogP4.20
Rot. Bonds6

About (3S)-1-(3-ethoxyquinoxalin-2-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide

(3S)-1-(3-ethoxyquinoxalin-2-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide (PubChem CID 97047734) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is (3S)-1-(3-ethoxyquinoxalin-2-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-ethoxyquinoxalin-2-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
PubChem CID97047734
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name(3S)-1-(3-ethoxyquinoxalin-2-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
SMILESCCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2cc(C)ccc2OC)C1
InChIInChI=1S/C24H28N4O3/c1-4-31-24-22(25-18-9-5-6-10-19(18)27-24)28-13-7-8-17(15-28)23(29)26-20-14-16(2)11-12-21(20)30-3/h5-6,9-12,14,17H,4,7-8,13,15H2,1-3H3,(H,26,29)/t17-/m0/s1
InChIKeyFTYQZOSZNWNJPS-KRWDZBQOSA-N
XLogP4.20
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-(5-chloro-2-methoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047797
N-(5-chloro-2-methoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752840
(3S)-N-(2-ethoxyphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047687
(3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 94009742
(3R)-N-(2,4-dimethoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 94009810
(3R)-N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047690
N-(2,3-dichlorophenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752495
(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxylic acid
CID 97177724
N-cyclohexyl-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752811
(3R)-1-(3-methoxyquinoxalin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 93072981
N-(2-ethylphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752918
N-(2,3-dimethylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752620

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-ethoxyquinoxalin-2-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(3-ethoxyquinoxalin-2-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide (CID 97047734) is (3S)-1-(3-ethoxyquinoxalin-2-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3-ethoxyquinoxalin-2-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3-ethoxyquinoxalin-2-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide is CCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2cc(C)ccc2OC)C1.
What is the InChIKey of (3S)-1-(3-ethoxyquinoxalin-2-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide?
The InChIKey is FTYQZOSZNWNJPS-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-4-31-24-22(25-18-9-5-6-10-19(18)27-24)28-13-7-8-17(15-28)23(29)26-20-14-16(2)11-12-21(20)30-3/h5-6,9-12,14,17H,4,7-8,13,15H2,1-3H3,(H,26,29)/t17-/m0/s1.
What are the key properties of (3S)-1-(3-ethoxyquinoxalin-2-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide?
(3S)-1-(3-ethoxyquinoxalin-2-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-ethoxyquinoxalin-2-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 97047734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).