(4-fluorophenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone

C18H21FN4O — CID 2812700

IUPAC(4-fluorophenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone
SMILESCCCc1cnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C18H21FN4O/c1-2-3-14-12-20-18(21-13-14)23-10-8-22(9-11-23)17(24)15-4-6-16(19)7-5-15/h4-7,12-13H,2-3,8-11H2,1H3
InChIKeyFZCNVNUYCRKMEF-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.53
Rot. Bonds4

About (4-fluorophenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone

(4-fluorophenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone (PubChem CID 2812700) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone
PubChem CID2812700
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name(4-fluorophenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone
SMILESCCCc1cnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C18H21FN4O/c1-2-3-14-12-20-18(21-13-14)23-10-8-22(9-11-23)17(24)15-4-6-16(19)7-5-15/h4-7,12-13H,2-3,8-11H2,1H3
InChIKeyFZCNVNUYCRKMEF-UHFFFAOYSA-N
XLogP2.53
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone (CID 2812700) is (4-fluorophenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone is CCCc1cnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)nc1.
What is the InChIKey of (4-fluorophenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone?
The InChIKey is FZCNVNUYCRKMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-2-3-14-12-20-18(21-13-14)23-10-8-22(9-11-23)17(24)15-4-6-16(19)7-5-15/h4-7,12-13H,2-3,8-11H2,1H3.
What are the key properties of (4-fluorophenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone?
(4-fluorophenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone has a molecular weight of 328.39 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 2812700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).