(3S)-N-(3-ethylphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide

C24H26N4O2 — CID 95050447

IUPAC(3S)-N-(3-ethylphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
SMILESCCc1cccc(NC(=O)[C@H]2CCCN(c3nccnc3Oc3ccccc3)C2)c1
InChIInChI=1S/C24H26N4O2/c1-2-18-8-6-10-20(16-18)27-23(29)19-9-7-15-28(17-19)22-24(26-14-13-25-22)30-21-11-4-3-5-12-21/h3-6,8,10-14,16,19H,2,7,9,15,17H2,1H3,(H,27,29)/t19-/m0/s1
InChIKeyYAAPWTXRXCTCIP-IBGZPJMESA-N
MW402.50 g/mol
LogP4.69
Rot. Bonds6

About (3S)-N-(3-ethylphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide

(3S)-N-(3-ethylphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide (PubChem CID 95050447) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is (3S)-N-(3-ethylphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-ethylphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
PubChem CID95050447
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name(3S)-N-(3-ethylphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
SMILESCCc1cccc(NC(=O)[C@H]2CCCN(c3nccnc3Oc3ccccc3)C2)c1
InChIInChI=1S/C24H26N4O2/c1-2-18-8-6-10-20(16-18)27-23(29)19-9-7-15-28(17-19)22-24(26-14-13-25-22)30-21-11-4-3-5-12-21/h3-6,8,10-14,16,19H,2,7,9,15,17H2,1H3,(H,27,29)/t19-/m0/s1
InChIKeyYAAPWTXRXCTCIP-IBGZPJMESA-N
XLogP4.69
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(4-ethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 95050432
(3R)-N-(4-ethylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050382
N-(3-ethylphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834418
(3S)-1-(3-phenoxypyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 95050445
(3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 95050455
(3R)-N-(3-fluorophenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050385
(3S)-N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 92897300
ethyl 3-[[1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carbonyl]amino]benzoate
CID 46392484
(3S)-1-(3-phenoxypyrazin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 92897302
(3S)-N-pentyl-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 95050441
N-(3-ethylphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752892
(3R)-N-(4-bromo-2-methylphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 92897295

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-ethylphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-ethylphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide (CID 95050447) is (3S)-N-(3-ethylphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-ethylphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-ethylphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide is CCc1cccc(NC(=O)[C@H]2CCCN(c3nccnc3Oc3ccccc3)C2)c1.
What is the InChIKey of (3S)-N-(3-ethylphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide?
The InChIKey is YAAPWTXRXCTCIP-IBGZPJMESA-N. The full InChI is InChI=1S/C24H26N4O2/c1-2-18-8-6-10-20(16-18)27-23(29)19-9-7-15-28(17-19)22-24(26-14-13-25-22)30-21-11-4-3-5-12-21/h3-6,8,10-14,16,19H,2,7,9,15,17H2,1H3,(H,27,29)/t19-/m0/s1.
What are the key properties of (3S)-N-(3-ethylphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide?
(3S)-N-(3-ethylphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-ethylphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95050447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).