N-(2-phenylethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide

C18H22N4O — CID 23607866

IUPACN-(2-phenylethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C18H22N4O/c23-18(21-9-8-15-5-2-1-3-6-15)16-7-4-12-22(14-16)17-13-19-10-11-20-17/h1-3,5-6,10-11,13,16H,4,7-9,12,14H2,(H,21,23)
InChIKeyUOFXDPSTLHQGSE-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.05
Rot. Bonds5

About N-(2-phenylethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide

N-(2-phenylethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 23607866) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(2-phenylethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID23607866
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-(2-phenylethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C18H22N4O/c23-18(21-9-8-15-5-2-1-3-6-15)16-7-4-12-22(14-16)17-13-19-10-11-20-17/h1-3,5-6,10-11,13,16H,4,7-9,12,14H2,(H,21,23)
InChIKeyUOFXDPSTLHQGSE-UHFFFAOYSA-N
XLogP2.05
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(2-phenylethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 23607866) is N-(2-phenylethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide is O=C(NCCc1ccccc1)C1CCCN(c2cnccn2)C1.
What is the InChIKey of N-(2-phenylethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is UOFXDPSTLHQGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-18(21-9-8-15-5-2-1-3-6-15)16-7-4-12-22(14-16)17-13-19-10-11-20-17/h1-3,5-6,10-11,13,16H,4,7-9,12,14H2,(H,21,23).
What are the key properties of N-(2-phenylethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
N-(2-phenylethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 23607866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).