N-[(3-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide

C17H19FN4O — CID 23609090

IUPACN-[(3-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESO=C(NCc1cccc(F)c1)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C17H19FN4O/c18-15-3-1-2-13(10-15)11-21-17(23)14-4-8-22(9-5-14)16-12-19-6-7-20-16/h1-3,6-7,10,12,14H,4-5,8-9,11H2,(H,21,23)
InChIKeyMKTLPCTXKXANTJ-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.15
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide

N-[(3-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 23609090) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID23609090
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC NameN-[(3-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESO=C(NCc1cccc(F)c1)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C17H19FN4O/c18-15-3-1-2-13(10-15)11-21-17(23)14-4-8-22(9-5-14)16-12-19-6-7-20-16/h1-3,6-7,10,12,14H,4-5,8-9,11H2,(H,21,23)
InChIKeyMKTLPCTXKXANTJ-UHFFFAOYSA-N
XLogP2.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 23609090) is N-[(3-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide is O=C(NCc1cccc(F)c1)C1CCN(c2cnccn2)CC1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is MKTLPCTXKXANTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c18-15-3-1-2-13(10-15)11-21-17(23)14-4-8-22(9-5-14)16-12-19-6-7-20-16/h1-3,6-7,10,12,14H,4-5,8-9,11H2,(H,21,23).
What are the key properties of N-[(3-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-[(3-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 23609090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).