N-[(4-methylphenyl)methyl]-4-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]oxybenzamide

C25H28N4O2 — CID 46394298

IUPACN-[(4-methylphenyl)methyl]-4-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]oxybenzamide
SMILESCc1ccc(CNC(=O)c2ccc(Oc3nccnc3N3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C25H28N4O2/c1-18-3-5-20(6-4-18)17-28-24(30)21-7-9-22(10-8-21)31-25-23(26-13-14-27-25)29-15-11-19(2)12-16-29/h3-10,13-14,19H,11-12,15-17H2,1-2H3,(H,28,30)
InChIKeyMFBIRUAWSOCCDQ-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.74
Rot. Bonds6

About N-[(4-methylphenyl)methyl]-4-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]oxybenzamide

N-[(4-methylphenyl)methyl]-4-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]oxybenzamide (PubChem CID 46394298) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-4-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]oxybenzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-4-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]oxybenzamide
PubChem CID46394298
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-[(4-methylphenyl)methyl]-4-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]oxybenzamide
SMILESCc1ccc(CNC(=O)c2ccc(Oc3nccnc3N3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C25H28N4O2/c1-18-3-5-20(6-4-18)17-28-24(30)21-7-9-22(10-8-21)31-25-23(26-13-14-27-25)29-15-11-19(2)12-16-29/h3-10,13-14,19H,11-12,15-17H2,1-2H3,(H,28,30)
InChIKeyMFBIRUAWSOCCDQ-UHFFFAOYSA-N
XLogP4.74
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 46392089
N-(3-methoxypropyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 46392077
N-[(4-ethylphenyl)methyl]-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide
CID 46392153
N-[(4-methylphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)benzamide
CID 109044864
4-(3-piperidin-1-ylpyrazin-2-yl)oxy-N-propylbenzamide
CID 53335585
[1-[3-(4-ethylphenoxy)pyrazin-2-yl]piperidin-4-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 50834314
N-(2-methoxyethyl)-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide
CID 53335594
N-[(4-methylphenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109298970
N-[(4-ethoxyphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 53283400
4-(3-piperidin-1-ylpyrazin-2-yl)oxy-N-prop-2-enylbenzamide
CID 53335593
N-[3-[cyclohexyl(methyl)amino]propyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 46392086
N-(1,3-benzodioxol-5-ylmethyl)-1-[3-(4-ethylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834330

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-4-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]oxybenzamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-4-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]oxybenzamide (CID 46394298) is N-[(4-methylphenyl)methyl]-4-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]oxybenzamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-4-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]oxybenzamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-4-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]oxybenzamide is Cc1ccc(CNC(=O)c2ccc(Oc3nccnc3N3CCC(C)CC3)cc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-4-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]oxybenzamide?
The InChIKey is MFBIRUAWSOCCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-18-3-5-20(6-4-18)17-28-24(30)21-7-9-22(10-8-21)31-25-23(26-13-14-27-25)29-15-11-19(2)12-16-29/h3-10,13-14,19H,11-12,15-17H2,1-2H3,(H,28,30).
What are the key properties of N-[(4-methylphenyl)methyl]-4-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]oxybenzamide?
N-[(4-methylphenyl)methyl]-4-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]oxybenzamide has a molecular weight of 416.53 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-4-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]oxybenzamide is sourced from PubChem (CID 46394298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).