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

C20H23FN4O — CID 38792386

IUPACN-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESO=C(C1CCN(c2cnccn2)CC1)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C20H23FN4O/c21-18-4-2-1-3-16(18)14-25(17-5-6-17)20(26)15-7-11-24(12-8-15)19-13-22-9-10-23-19/h1-4,9-10,13,15,17H,5-8,11-12,14H2
InChIKeyVVRFQTOCHXRIPL-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.02
Rot. Bonds5

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

N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 38792386) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID38792386
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESO=C(C1CCN(c2cnccn2)CC1)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C20H23FN4O/c21-18-4-2-1-3-16(18)14-25(17-5-6-17)20(26)15-7-11-24(12-8-15)19-13-22-9-10-23-19/h1-4,9-10,13,15,17H,5-8,11-12,14H2
InChIKeyVVRFQTOCHXRIPL-UHFFFAOYSA-N
XLogP3.02
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 38792386) is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide is O=C(C1CCN(c2cnccn2)CC1)N(Cc1ccccc1F)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is VVRFQTOCHXRIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c21-18-4-2-1-3-16(18)14-25(17-5-6-17)20(26)15-7-11-24(12-8-15)19-13-22-9-10-23-19/h1-4,9-10,13,15,17H,5-8,11-12,14H2.
What are the key properties of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 38792386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).