(3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide

C23H25ClN4O3 — CID 94009742

IUPAC(3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
SMILESCCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2ccc(OC)c(Cl)c2)C1
InChIInChI=1S/C23H25ClN4O3/c1-3-31-23-21(26-18-8-4-5-9-19(18)27-23)28-12-6-7-15(14-28)22(29)25-16-10-11-20(30-2)17(24)13-16/h4-5,8-11,13,15H,3,6-7,12,14H2,1-2H3,(H,25,29)/t15-/m1/s1
InChIKeySBGZBYNEOYTBIP-OAHLLOKOSA-N
MW440.93 g/mol
LogP4.55
Rot. Bonds6

About (3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide

(3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide (PubChem CID 94009742) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is (3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
PubChem CID94009742
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC Name(3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
SMILESCCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2ccc(OC)c(Cl)c2)C1
InChIInChI=1S/C23H25ClN4O3/c1-3-31-23-21(26-18-8-4-5-9-19(18)27-23)28-12-6-7-15(14-28)22(29)25-16-10-11-20(30-2)17(24)13-16/h4-5,8-11,13,15H,3,6-7,12,14H2,1-2H3,(H,25,29)/t15-/m1/s1
InChIKeySBGZBYNEOYTBIP-OAHLLOKOSA-N
XLogP4.55
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-(3-ethoxyquinoxalin-2-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 97047734
N-(2,3-dichlorophenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752495
(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-(4-chlorophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 94009829
(3S)-N-(2-ethoxyphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047687
(3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 95050455
N-(4-ethylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752640
1-(3-methoxyquinoxalin-2-yl)-N-phenylpiperidine-3-carboxamide
CID 50752515
N-(4-acetamidophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752841
(3R)-N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047690
(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxylic acid
CID 97177724

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide (CID 94009742) is (3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide is CCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2ccc(OC)c(Cl)c2)C1.
What is the InChIKey of (3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide?
The InChIKey is SBGZBYNEOYTBIP-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c1-3-31-23-21(26-18-8-4-5-9-19(18)27-23)28-12-6-7-15(14-28)22(29)25-16-10-11-20(30-2)17(24)13-16/h4-5,8-11,13,15H,3,6-7,12,14H2,1-2H3,(H,25,29)/t15-/m1/s1.
What are the key properties of (3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide?
(3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide has a molecular weight of 440.93 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 94009742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).