(3S)-N-[(4-chlorophenyl)methyl]-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide

C23H25ClN4O2 — CID 97047786

IUPAC(3S)-N-[(4-chlorophenyl)methyl]-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
SMILESCCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)NCc2ccc(Cl)cc2)C1
InChIInChI=1S/C23H25ClN4O2/c1-2-30-23-21(26-19-7-3-4-8-20(19)27-23)28-13-5-6-17(15-28)22(29)25-14-16-9-11-18(24)12-10-16/h3-4,7-12,17H,2,5-6,13-15H2,1H3,(H,25,29)/t17-/m0/s1
InChIKeyOXEXJRNDOZIKAS-KRWDZBQOSA-N
MW424.93 g/mol
LogP4.21
Rot. Bonds6

About (3S)-N-[(4-chlorophenyl)methyl]-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide

(3S)-N-[(4-chlorophenyl)methyl]-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide (PubChem CID 97047786) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is (3S)-N-[(4-chlorophenyl)methyl]-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(4-chlorophenyl)methyl]-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
PubChem CID97047786
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name(3S)-N-[(4-chlorophenyl)methyl]-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
SMILESCCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)NCc2ccc(Cl)cc2)C1
InChIInChI=1S/C23H25ClN4O2/c1-2-30-23-21(26-19-7-3-4-8-20(19)27-23)28-13-5-6-17(15-28)22(29)25-14-16-9-11-18(24)12-10-16/h3-4,7-12,17H,2,5-6,13-15H2,1H3,(H,25,29)/t17-/m0/s1
InChIKeyOXEXJRNDOZIKAS-KRWDZBQOSA-N
XLogP4.21
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752850
(3S)-N-[(4-chlorophenyl)methyl]-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 42584756
(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxylic acid
CID 97177724
(3S)-N-(4-chlorophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 94009829
N-cyclohexyl-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752811
N-[(3-methylphenyl)methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752891
N-(2,3-dichlorophenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752495
(3R)-N-[(4-ethoxyphenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
CID 30453509
(3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 94009742
N-cyclopentyl-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752908
[(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 93052335
(3R)-N-(5-chloro-2-methoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047797

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(4-chlorophenyl)methyl]-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(4-chlorophenyl)methyl]-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide (CID 97047786) is (3S)-N-[(4-chlorophenyl)methyl]-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(4-chlorophenyl)methyl]-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(4-chlorophenyl)methyl]-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide is CCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)NCc2ccc(Cl)cc2)C1.
What is the InChIKey of (3S)-N-[(4-chlorophenyl)methyl]-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide?
The InChIKey is OXEXJRNDOZIKAS-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c1-2-30-23-21(26-19-7-3-4-8-20(19)27-23)28-13-5-6-17(15-28)22(29)25-14-16-9-11-18(24)12-10-16/h3-4,7-12,17H,2,5-6,13-15H2,1H3,(H,25,29)/t17-/m0/s1.
What are the key properties of (3S)-N-[(4-chlorophenyl)methyl]-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide?
(3S)-N-[(4-chlorophenyl)methyl]-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide has a molecular weight of 424.93 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(4-chlorophenyl)methyl]-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 97047786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).