N-(3-methoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide

C17H20N4O2 — CID 23609099

IUPACN-(3-methoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCOc1cccc(NC(=O)C2CCN(c3cnccn3)CC2)c1
InChIInChI=1S/C17H20N4O2/c1-23-15-4-2-3-14(11-15)20-17(22)13-5-9-21(10-6-13)16-12-18-7-8-19-16/h2-4,7-8,11-13H,5-6,9-10H2,1H3,(H,20,22)
InChIKeyLDPVVNDKMYYPPP-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.34
Rot. Bonds4

About N-(3-methoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide

N-(3-methoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 23609099) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID23609099
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-(3-methoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCOc1cccc(NC(=O)C2CCN(c3cnccn3)CC2)c1
InChIInChI=1S/C17H20N4O2/c1-23-15-4-2-3-14(11-15)20-17(22)13-5-9-21(10-6-13)16-12-18-7-8-19-16/h2-4,7-8,11-13H,5-6,9-10H2,1H3,(H,20,22)
InChIKeyLDPVVNDKMYYPPP-UHFFFAOYSA-N
XLogP2.34
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 23609099) is N-(3-methoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide is COc1cccc(NC(=O)C2CCN(c3cnccn3)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is LDPVVNDKMYYPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-23-15-4-2-3-14(11-15)20-17(22)13-5-9-21(10-6-13)16-12-18-7-8-19-16/h2-4,7-8,11-13H,5-6,9-10H2,1H3,(H,20,22).
What are the key properties of N-(3-methoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-(3-methoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 23609099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).