(3S)-N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide

C26H30N4O4 — CID 92897300

IUPAC(3S)-N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)[C@H]2CCCN(c3nccnc3Oc3ccccc3)C2)c1
InChIInChI=1S/C26H30N4O4/c1-3-32-21-12-13-23(33-4-2)22(17-21)29-25(31)19-9-8-16-30(18-19)24-26(28-15-14-27-24)34-20-10-6-5-7-11-20/h5-7,10-15,17,19H,3-4,8-9,16,18H2,1-2H3,(H,29,31)/t19-/m0/s1
InChIKeyKVBIUYUEQIECOD-IBGZPJMESA-N
MW462.55 g/mol
LogP4.92
Rot. Bonds9

About (3S)-N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide

(3S)-N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide (PubChem CID 92897300) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is (3S)-N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
PubChem CID92897300
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Name(3S)-N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)[C@H]2CCCN(c3nccnc3Oc3ccccc3)C2)c1
InChIInChI=1S/C26H30N4O4/c1-3-32-21-12-13-23(33-4-2)22(17-21)29-25(31)19-9-8-16-30(18-19)24-26(28-15-14-27-24)34-20-10-6-5-7-11-20/h5-7,10-15,17,19H,3-4,8-9,16,18H2,1-2H3,(H,29,31)/t19-/m0/s1
InChIKeyKVBIUYUEQIECOD-IBGZPJMESA-N
XLogP4.92
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide
CID 46392125
(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-(4-bromo-2-methylphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 92897295
(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)-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
(3S)-1-(3-phenoxypyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 95050445
(3S)-N-(2,5-diethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 93068918
N-(4-fluoro-2-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 50835943
(3R)-N-(4-ethylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050382

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide (CID 92897300) is (3S)-N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide is CCOc1ccc(OCC)c(NC(=O)[C@H]2CCCN(c3nccnc3Oc3ccccc3)C2)c1.
What is the InChIKey of (3S)-N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide?
The InChIKey is KVBIUYUEQIECOD-IBGZPJMESA-N. The full InChI is InChI=1S/C26H30N4O4/c1-3-32-21-12-13-23(33-4-2)22(17-21)29-25(31)19-9-8-16-30(18-19)24-26(28-15-14-27-24)34-20-10-6-5-7-11-20/h5-7,10-15,17,19H,3-4,8-9,16,18H2,1-2H3,(H,29,31)/t19-/m0/s1.
What are the key properties of (3S)-N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide?
(3S)-N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 4.92, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 92897300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).