N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide

C26H30N4O4 — CID 46392125

IUPACN-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)C2CCN(c3nccnc3Oc3ccccc3)CC2)c1
InChIInChI=1S/C26H30N4O4/c1-3-32-21-10-11-23(33-4-2)22(18-21)29-25(31)19-12-16-30(17-13-19)24-26(28-15-14-27-24)34-20-8-6-5-7-9-20/h5-11,14-15,18-19H,3-4,12-13,16-17H2,1-2H3,(H,29,31)
InChIKeyDLSWWKNQFIPANF-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.92
Rot. Bonds9

About N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide

N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide (PubChem CID 46392125) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide
PubChem CID46392125
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC NameN-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)C2CCN(c3nccnc3Oc3ccccc3)CC2)c1
InChIInChI=1S/C26H30N4O4/c1-3-32-21-10-11-23(33-4-2)22(18-21)29-25(31)19-12-16-30(17-13-19)24-26(28-15-14-27-24)34-20-8-6-5-7-9-20/h5-11,14-15,18-19H,3-4,12-13,16-17H2,1-2H3,(H,29,31)
InChIKeyDLSWWKNQFIPANF-UHFFFAOYSA-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

(3S)-N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 92897300
N-(2,5-dimethoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834258
(3R)-N-(4-ethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 95050432
N-(4-chlorophenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide
CID 46392098
N-[(4-ethylphenyl)methyl]-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide
CID 46392153
N-(2,4-difluorophenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 46392060
N-(4-chloro-2-methoxy-5-methylphenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 46392191
1-(3-phenoxypyrazin-2-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide
CID 92883993
N-(3-ethylphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834418
N-(3-fluoro-4-methoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834661
N-(3-fluoro-4-methoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834387
N-(2,5-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 653950

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide (CID 46392125) is N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide is CCOc1ccc(OCC)c(NC(=O)C2CCN(c3nccnc3Oc3ccccc3)CC2)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide?
The InChIKey is DLSWWKNQFIPANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-3-32-21-10-11-23(33-4-2)22(18-21)29-25(31)19-12-16-30(17-13-19)24-26(28-15-14-27-24)34-20-8-6-5-7-9-20/h5-11,14-15,18-19H,3-4,12-13,16-17H2,1-2H3,(H,29,31).
What are the key properties of N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide?
N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-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 N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46392125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).