N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide

C20H24FN5O — CID 18146908

IUPACN-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2cnccn2)CC1)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C20H24FN5O/c21-18-4-2-1-3-16(18)14-26(17-5-6-17)20(27)15-24-9-11-25(12-10-24)19-13-22-7-8-23-19/h1-4,7-8,13,17H,5-6,9-12,14-15H2
InChIKeyYJZURBPYMKTXIX-UHFFFAOYSA-N
MW369.44 g/mol
LogP1.93
Rot. Bonds6

About N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide

N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide (PubChem CID 18146908) has the molecular formula C20H24FN5O and a molecular weight of 369.44 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
PubChem CID18146908
Molecular FormulaC20H24FN5O
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2cnccn2)CC1)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C20H24FN5O/c21-18-4-2-1-3-16(18)14-26(17-5-6-17)20(27)15-24-9-11-25(12-10-24)19-13-22-7-8-23-19/h1-4,7-8,13,17H,5-6,9-12,14-15H2
InChIKeyYJZURBPYMKTXIX-UHFFFAOYSA-N
XLogP1.93
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide (CID 18146908) is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2cnccn2)CC1)N(Cc1ccccc1F)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is YJZURBPYMKTXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O/c21-18-4-2-1-3-16(18)14-26(17-5-6-17)20(27)15-24-9-11-25(12-10-24)19-13-22-7-8-23-19/h1-4,7-8,13,17H,5-6,9-12,14-15H2.
What are the key properties of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide?
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 369.44 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 18146908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).