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

C24H26N4O3 — CID 95050432

IUPAC(3R)-N-(4-ethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)[C@@H]2CCCN(c3nccnc3Oc3ccccc3)C2)cc1
InChIInChI=1S/C24H26N4O3/c1-2-30-20-12-10-19(11-13-20)27-23(29)18-7-6-16-28(17-18)22-24(26-15-14-25-22)31-21-8-4-3-5-9-21/h3-5,8-15,18H,2,6-7,16-17H2,1H3,(H,27,29)/t18-/m1/s1
InChIKeyYBMBDNJZNAQRNI-GOSISDBHSA-N
MW418.50 g/mol
LogP4.52
Rot. Bonds7

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

(3R)-N-(4-ethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide (PubChem CID 95050432) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is (3R)-N-(4-ethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-ethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
PubChem CID95050432
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name(3R)-N-(4-ethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)[C@@H]2CCCN(c3nccnc3Oc3ccccc3)C2)cc1
InChIInChI=1S/C24H26N4O3/c1-2-30-20-12-10-19(11-13-20)27-23(29)18-7-6-16-28(17-18)22-24(26-15-14-25-22)31-21-8-4-3-5-9-21/h3-5,8-15,18H,2,6-7,16-17H2,1H3,(H,27,29)/t18-/m1/s1
InChIKeyYBMBDNJZNAQRNI-GOSISDBHSA-N
XLogP4.52
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.52
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
(3S)-N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 92897300
(3S)-N-(3-ethylphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 95050447
(3R)-N-(4-ethylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050382
(3R)-N-(4-fluorophenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050387
(3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 95050455
(3S)-N-pentyl-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 95050441
(3R)-1-[3-(2-methylphenoxy)pyrazin-2-yl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 95050506
(3S)-N-(4-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 92897328
(3R)-N-(4-bromo-2-methylphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 92897295
(3R)-N-(3-fluorophenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050385
(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-(4-ethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-ethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide (CID 95050432) is (3R)-N-(4-ethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-ethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-ethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide is CCOc1ccc(NC(=O)[C@@H]2CCCN(c3nccnc3Oc3ccccc3)C2)cc1.
What is the InChIKey of (3R)-N-(4-ethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide?
The InChIKey is YBMBDNJZNAQRNI-GOSISDBHSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-2-30-20-12-10-19(11-13-20)27-23(29)18-7-6-16-28(17-18)22-24(26-15-14-25-22)31-21-8-4-3-5-9-21/h3-5,8-15,18H,2,6-7,16-17H2,1H3,(H,27,29)/t18-/m1/s1.
What are the key properties of (3R)-N-(4-ethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide?
(3R)-N-(4-ethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-ethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95050432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).