(3R)-N-(5-chloro-2-methoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide

C24H27ClN4O3 — CID 97047797

IUPAC(3R)-N-(5-chloro-2-methoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
SMILESCCCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2OC)C1
InChIInChI=1S/C24H27ClN4O3/c1-3-13-32-24-22(26-18-8-4-5-9-19(18)28-24)29-12-6-7-16(15-29)23(30)27-20-14-17(25)10-11-21(20)31-2/h4-5,8-11,14,16H,3,6-7,12-13,15H2,1-2H3,(H,27,30)/t16-/m1/s1
InChIKeyCDDMZBDWXGADHD-MRXNPFEDSA-N
MW454.96 g/mol
LogP4.94
Rot. Bonds7

About (3R)-N-(5-chloro-2-methoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide

(3R)-N-(5-chloro-2-methoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide (PubChem CID 97047797) has the molecular formula C24H27ClN4O3 and a molecular weight of 454.96 g/mol. Its IUPAC name is (3R)-N-(5-chloro-2-methoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(5-chloro-2-methoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
PubChem CID97047797
Molecular FormulaC24H27ClN4O3
Molecular Weight454.96 g/mol
Exact Mass454.18
IUPAC Name(3R)-N-(5-chloro-2-methoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
SMILESCCCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2OC)C1
InChIInChI=1S/C24H27ClN4O3/c1-3-13-32-24-22(26-18-8-4-5-9-19(18)28-24)29-12-6-7-16(15-29)23(30)27-20-14-17(25)10-11-21(20)31-2/h4-5,8-11,14,16H,3,6-7,12-13,15H2,1-2H3,(H,27,30)/t16-/m1/s1
InChIKeyCDDMZBDWXGADHD-MRXNPFEDSA-N
XLogP4.94
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.96
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752840
(3R)-N-(2,4-dimethoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 94009810
(3S)-N-(4-chlorophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 94009829
(3S)-1-(3-ethoxyquinoxalin-2-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 97047734
N-(2-ethylphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752918
(3R)-N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047690
(3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 94009742
N-(4-chloro-2-methylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752576
N-(4-acetamidophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752841
N-cyclopentyl-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752908
N-(3-ethylphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752892
N-(2,3-dichlorophenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752495

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-chloro-2-methoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(5-chloro-2-methoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide (CID 97047797) is (3R)-N-(5-chloro-2-methoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(5-chloro-2-methoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(5-chloro-2-methoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide is CCCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2OC)C1.
What is the InChIKey of (3R)-N-(5-chloro-2-methoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide?
The InChIKey is CDDMZBDWXGADHD-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H27ClN4O3/c1-3-13-32-24-22(26-18-8-4-5-9-19(18)28-24)29-12-6-7-16(15-29)23(30)27-20-14-17(25)10-11-21(20)31-2/h4-5,8-11,14,16H,3,6-7,12-13,15H2,1-2H3,(H,27,30)/t16-/m1/s1.
What are the key properties of (3R)-N-(5-chloro-2-methoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide?
(3R)-N-(5-chloro-2-methoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide has a molecular weight of 454.96 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-chloro-2-methoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 97047797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).