N-[(4-ethylphenyl)methyl]-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide

C25H28N4O2 — CID 46392153

IUPACN-[(4-ethylphenyl)methyl]-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide
SMILESCCc1ccc(CNC(=O)C2CCN(c3nccnc3Oc3ccccc3)CC2)cc1
InChIInChI=1S/C25H28N4O2/c1-2-19-8-10-20(11-9-19)18-28-24(30)21-12-16-29(17-13-21)23-25(27-15-14-26-23)31-22-6-4-3-5-7-22/h3-11,14-15,21H,2,12-13,16-18H2,1H3,(H,28,30)
InChIKeyKEEWSNJZXASERC-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.36
Rot. Bonds7

About N-[(4-ethylphenyl)methyl]-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide

N-[(4-ethylphenyl)methyl]-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide (PubChem CID 46392153) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide
PubChem CID46392153
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-[(4-ethylphenyl)methyl]-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide
SMILESCCc1ccc(CNC(=O)C2CCN(c3nccnc3Oc3ccccc3)CC2)cc1
InChIInChI=1S/C25H28N4O2/c1-2-19-8-10-20(11-9-19)18-28-24(30)21-12-16-29(17-13-21)23-25(27-15-14-26-23)31-22-6-4-3-5-7-22/h3-11,14-15,21H,2,12-13,16-18H2,1H3,(H,28,30)
InChIKeyKEEWSNJZXASERC-UHFFFAOYSA-N
XLogP4.36
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-1-[3-(4-ethylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834330
N-[(4-bromophenyl)methyl]-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834243
N-[[4-(dimethylamino)phenyl]methyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 46392089
1-[3-(3-methoxyphenoxy)pyrazin-2-yl]-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide
CID 50834328
(3S)-N-[(4-ethylphenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050515
1-(3-phenoxypyrazin-2-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide
CID 92883993
N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide
CID 46392125
N-(4-chlorophenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide
CID 46392098
N-(3-ethylphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834418
N-[(4-methylphenyl)methyl]-4-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]oxybenzamide
CID 46394298
(3S)-N-pentyl-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 95050441
[1-[3-(4-ethylphenoxy)pyrazin-2-yl]piperidin-4-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 50834314

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide (CID 46392153) is N-[(4-ethylphenyl)methyl]-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide is CCc1ccc(CNC(=O)C2CCN(c3nccnc3Oc3ccccc3)CC2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide?
The InChIKey is KEEWSNJZXASERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-2-19-8-10-20(11-9-19)18-28-24(30)21-12-16-29(17-13-21)23-25(27-15-14-26-23)31-22-6-4-3-5-7-22/h3-11,14-15,21H,2,12-13,16-18H2,1H3,(H,28,30).
What are the key properties of N-[(4-ethylphenyl)methyl]-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide?
N-[(4-ethylphenyl)methyl]-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46392153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).