(3-fluorophenyl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone

C16H17FN4O2 — CID 22617927

IUPAC(3-fluorophenyl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
SMILESCOc1ccnc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1
InChIInChI=1S/C16H17FN4O2/c1-23-14-5-6-18-16(19-14)21-9-7-20(8-10-21)15(22)12-3-2-4-13(17)11-12/h2-6,11H,7-10H2,1H3
InChIKeyUWODUYCDZAOEKF-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.59
Rot. Bonds3

About (3-fluorophenyl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone

(3-fluorophenyl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone (PubChem CID 22617927) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
PubChem CID22617927
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC Name(3-fluorophenyl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
SMILESCOc1ccnc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1
InChIInChI=1S/C16H17FN4O2/c1-23-14-5-6-18-16(19-14)21-9-7-20(8-10-21)15(22)12-3-2-4-13(17)11-12/h2-6,11H,7-10H2,1H3
InChIKeyUWODUYCDZAOEKF-UHFFFAOYSA-N
XLogP1.59
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]benzonitrile;hydrochloride
CID 10269857
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-phenylmethanethione;hydrochloride
CID 22617971
(3-fluorophenyl)-[4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperazin-1-yl]methanone
CID 92568467
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 56796895
[4-(6-amino-5-methoxypyrimidin-4-yl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 138005571
[4-(4-methoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-thiophen-2-ylmethanone
CID 133282779
(4-ethylphenyl)-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 56575190
N-ethyl-N-[(3-fluorophenyl)methyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide
CID 60585524
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 47340436
(3-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4993620
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
6-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 56798159

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone (CID 22617927) is (3-fluorophenyl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone is COc1ccnc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1.
What is the InChIKey of (3-fluorophenyl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone?
The InChIKey is UWODUYCDZAOEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c1-23-14-5-6-18-16(19-14)21-9-7-20(8-10-21)15(22)12-3-2-4-13(17)11-12/h2-6,11H,7-10H2,1H3.
What are the key properties of (3-fluorophenyl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone?
(3-fluorophenyl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone has a molecular weight of 316.34 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 22617927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).