1-[5-fluoro-2-methyl-4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]propan-1-one

C22H25FN2O2 — CID 1306028

IUPAC1-[5-fluoro-2-methyl-4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]propan-1-one
SMILESCCC(=O)c1cc(F)c(N2CCN(C(=O)Cc3ccccc3)CC2)cc1C
InChIInChI=1S/C22H25FN2O2/c1-3-21(26)18-15-19(23)20(13-16(18)2)24-9-11-25(12-10-24)22(27)14-17-7-5-4-6-8-17/h4-8,13,15H,3,9-12,14H2,1-2H3
InChIKeyDPMBCKAYQMZZIN-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.62
Rot. Bonds5

About 1-[5-fluoro-2-methyl-4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]propan-1-one

1-[5-fluoro-2-methyl-4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]propan-1-one (PubChem CID 1306028) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 1-[5-fluoro-2-methyl-4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[5-fluoro-2-methyl-4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]propan-1-one
PubChem CID1306028
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name1-[5-fluoro-2-methyl-4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]propan-1-one
SMILESCCC(=O)c1cc(F)c(N2CCN(C(=O)Cc3ccccc3)CC2)cc1C
InChIInChI=1S/C22H25FN2O2/c1-3-21(26)18-15-19(23)20(13-16(18)2)24-9-11-25(12-10-24)22(27)14-17-7-5-4-6-8-17/h4-8,13,15H,3,9-12,14H2,1-2H3
InChIKeyDPMBCKAYQMZZIN-UHFFFAOYSA-N
XLogP3.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-methyl-4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]propan-1-one?
The IUPAC name of 1-[5-fluoro-2-methyl-4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]propan-1-one (CID 1306028) is 1-[5-fluoro-2-methyl-4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]propan-1-one.
What is the SMILES notation for 1-[5-fluoro-2-methyl-4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]propan-1-one?
The canonical SMILES for 1-[5-fluoro-2-methyl-4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]propan-1-one is CCC(=O)c1cc(F)c(N2CCN(C(=O)Cc3ccccc3)CC2)cc1C.
What is the InChIKey of 1-[5-fluoro-2-methyl-4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]propan-1-one?
The InChIKey is DPMBCKAYQMZZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-3-21(26)18-15-19(23)20(13-16(18)2)24-9-11-25(12-10-24)22(27)14-17-7-5-4-6-8-17/h4-8,13,15H,3,9-12,14H2,1-2H3.
What are the key properties of 1-[5-fluoro-2-methyl-4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]propan-1-one?
1-[5-fluoro-2-methyl-4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]propan-1-one has a molecular weight of 368.45 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-methyl-4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]propan-1-one is sourced from PubChem (CID 1306028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).