N-[(2-methylphenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

C18H22N4O — CID 23607668

IUPACN-[(2-methylphenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCc1ccccc1CNC(=O)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C18H22N4O/c1-14-5-2-3-6-15(14)11-21-18(23)16-7-4-10-22(13-16)17-12-19-8-9-20-17/h2-3,5-6,8-9,12,16H,4,7,10-11,13H2,1H3,(H,21,23)
InChIKeyOUZBNNBITRTXGC-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.32
Rot. Bonds4

About N-[(2-methylphenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

N-[(2-methylphenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 23607668) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID23607668
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-[(2-methylphenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCc1ccccc1CNC(=O)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C18H22N4O/c1-14-5-2-3-6-15(14)11-21-18(23)16-7-4-10-22(13-16)17-12-19-8-9-20-17/h2-3,5-6,8-9,12,16H,4,7,10-11,13H2,1H3,(H,21,23)
InChIKeyOUZBNNBITRTXGC-UHFFFAOYSA-N
XLogP2.32
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 23607668) is N-[(2-methylphenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is Cc1ccccc1CNC(=O)C1CCCN(c2cnccn2)C1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is OUZBNNBITRTXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-14-5-2-3-6-15(14)11-21-18(23)16-7-4-10-22(13-16)17-12-19-8-9-20-17/h2-3,5-6,8-9,12,16H,4,7,10-11,13H2,1H3,(H,21,23).
What are the key properties of N-[(2-methylphenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
N-[(2-methylphenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 23607668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).