N-[3-(methoxymethyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide

C18H22N4O2 — CID 33288627

IUPACN-[3-(methoxymethyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCOCc1cccc(NC(=O)C2CCN(c3cnccn3)CC2)c1
InChIInChI=1S/C18H22N4O2/c1-24-13-14-3-2-4-16(11-14)21-18(23)15-5-9-22(10-6-15)17-12-19-7-8-20-17/h2-4,7-8,11-12,15H,5-6,9-10,13H2,1H3,(H,21,23)
InChIKeyXMFNEMMQIAPSCP-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.48
Rot. Bonds5

About N-[3-(methoxymethyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide

N-[3-(methoxymethyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 33288627) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[3-(methoxymethyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(methoxymethyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID33288627
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[3-(methoxymethyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCOCc1cccc(NC(=O)C2CCN(c3cnccn3)CC2)c1
InChIInChI=1S/C18H22N4O2/c1-24-13-14-3-2-4-16(11-14)21-18(23)15-5-9-22(10-6-15)17-12-19-7-8-20-17/h2-4,7-8,11-12,15H,5-6,9-10,13H2,1H3,(H,21,23)
InChIKeyXMFNEMMQIAPSCP-UHFFFAOYSA-N
XLogP2.48
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-hydroxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 136578446
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 78892568
N-naphthalen-1-yl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 43815622
N-[4-(methylcarbamoyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38797507
N-[2-(3-methoxyphenyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 72929287
N-[3-(hydroxymethyl)phenyl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 110910842
N-(4-fluoro-2-methoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 33284913
N-(3-ethylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384741
N-[(4-acetamidophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38797292
N-[(4-methoxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222630
(2R)-N-[3-(methoxymethyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 95308116
1-pyrazin-2-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 55712011

Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(methoxymethyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 33288627) is N-[3-(methoxymethyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(methoxymethyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(methoxymethyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide is COCc1cccc(NC(=O)C2CCN(c3cnccn3)CC2)c1.
What is the InChIKey of N-[3-(methoxymethyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is XMFNEMMQIAPSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-24-13-14-3-2-4-16(11-14)21-18(23)15-5-9-22(10-6-15)17-12-19-7-8-20-17/h2-4,7-8,11-12,15H,5-6,9-10,13H2,1H3,(H,21,23).
What are the key properties of N-[3-(methoxymethyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-[3-(methoxymethyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 33288627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).