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

C23H23ClN4O3 — CID 95050455

IUPAC(3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN(c3nccnc3Oc3ccccc3)C2)cc1Cl
InChIInChI=1S/C23H23ClN4O3/c1-30-20-10-9-17(14-19(20)24)27-22(29)16-6-5-13-28(15-16)21-23(26-12-11-25-21)31-18-7-3-2-4-8-18/h2-4,7-12,14,16H,5-6,13,15H2,1H3,(H,27,29)/t16-/m1/s1
InChIKeyILCNZOLHOUYXQU-MRXNPFEDSA-N
MW438.92 g/mol
LogP4.79
Rot. Bonds6

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

(3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide (PubChem CID 95050455) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is (3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
PubChem CID95050455
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC Name(3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN(c3nccnc3Oc3ccccc3)C2)cc1Cl
InChIInChI=1S/C23H23ClN4O3/c1-30-20-10-9-17(14-19(20)24)27-22(29)16-6-5-13-28(15-16)21-23(26-12-11-25-21)31-18-7-3-2-4-8-18/h2-4,7-12,14,16H,5-6,13,15H2,1H3,(H,27,29)/t16-/m1/s1
InChIKeyILCNZOLHOUYXQU-MRXNPFEDSA-N
XLogP4.79
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-(3-phenoxypyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 95050445
(3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 92884416
(3S)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 92884417
(3R)-N-(4-ethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 95050432
(3S)-N-(3-ethylphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 95050447
(3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 94009742
(3S)-N-(3-chloro-4-methoxyphenyl)-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 92897205
(3R)-N-(3-chloro-4-methoxyphenyl)-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 92897204
(3S)-N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 92897300
(3R)-N-(3-fluorophenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050385
(3R)-N-(4-bromo-2-methylphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 92897295
(3R)-N-(4-bromo-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 92884432

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide (CID 95050455) is (3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide is COc1ccc(NC(=O)[C@@H]2CCCN(c3nccnc3Oc3ccccc3)C2)cc1Cl.
What is the InChIKey of (3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide?
The InChIKey is ILCNZOLHOUYXQU-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c1-30-20-10-9-17(14-19(20)24)27-22(29)16-6-5-13-28(15-16)21-23(26-12-11-25-21)31-18-7-3-2-4-8-18/h2-4,7-12,14,16H,5-6,13,15H2,1H3,(H,27,29)/t16-/m1/s1.
What are the key properties of (3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide?
(3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide has a molecular weight of 438.92 g/mol, XLogP of 4.79, 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-phenoxypyrazin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95050455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).