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

C19H24N4O — CID 23607664

IUPACN-[2-(3-methylphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCc1cccc(CCNC(=O)C2CCCN(c3cnccn3)C2)c1
InChIInChI=1S/C19H24N4O/c1-15-4-2-5-16(12-15)7-8-22-19(24)17-6-3-11-23(14-17)18-13-20-9-10-21-18/h2,4-5,9-10,12-13,17H,3,6-8,11,14H2,1H3,(H,22,24)
InChIKeyNKRBLHPWVSJWBV-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.36
Rot. Bonds5

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

N-[2-(3-methylphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 23607664) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID23607664
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-[2-(3-methylphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCc1cccc(CCNC(=O)C2CCCN(c3cnccn3)C2)c1
InChIInChI=1S/C19H24N4O/c1-15-4-2-5-16(12-15)7-8-22-19(24)17-6-3-11-23(14-17)18-13-20-9-10-21-18/h2,4-5,9-10,12-13,17H,3,6-8,11,14H2,1H3,(H,22,24)
InChIKeyNKRBLHPWVSJWBV-UHFFFAOYSA-N
XLogP2.36
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(3-methylphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 23607664) is N-[2-(3-methylphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(3-methylphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(3-methylphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is Cc1cccc(CCNC(=O)C2CCCN(c3cnccn3)C2)c1.
What is the InChIKey of N-[2-(3-methylphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is NKRBLHPWVSJWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-15-4-2-5-16(12-15)7-8-22-19(24)17-6-3-11-23(14-17)18-13-20-9-10-21-18/h2,4-5,9-10,12-13,17H,3,6-8,11,14H2,1H3,(H,22,24).
What are the key properties of N-[2-(3-methylphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
N-[2-(3-methylphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 23607664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).