1-[(2-fluorophenyl)methyl]-4-(2-propoxybenzoyl)piperazin-2-one

C21H23FN2O3 — CID 70736935

IUPAC1-[(2-fluorophenyl)methyl]-4-(2-propoxybenzoyl)piperazin-2-one
SMILESCCCOc1ccccc1C(=O)N1CCN(Cc2ccccc2F)C(=O)C1
InChIInChI=1S/C21H23FN2O3/c1-2-13-27-19-10-6-4-8-17(19)21(26)24-12-11-23(20(25)15-24)14-16-7-3-5-9-18(16)22/h3-10H,2,11-15H2,1H3
InChIKeyOCXCEKCIGXGLRM-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.10
Rot. Bonds6

About 1-[(2-fluorophenyl)methyl]-4-(2-propoxybenzoyl)piperazin-2-one

1-[(2-fluorophenyl)methyl]-4-(2-propoxybenzoyl)piperazin-2-one (PubChem CID 70736935) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4-(2-propoxybenzoyl)piperazin-2-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4-(2-propoxybenzoyl)piperazin-2-one
PubChem CID70736935
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name1-[(2-fluorophenyl)methyl]-4-(2-propoxybenzoyl)piperazin-2-one
SMILESCCCOc1ccccc1C(=O)N1CCN(Cc2ccccc2F)C(=O)C1
InChIInChI=1S/C21H23FN2O3/c1-2-13-27-19-10-6-4-8-17(19)21(26)24-12-11-23(20(25)15-24)14-16-7-3-5-9-18(16)22/h3-10H,2,11-15H2,1H3
InChIKeyOCXCEKCIGXGLRM-UHFFFAOYSA-N
XLogP3.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-4-(2-propoxybenzoyl)piperazin-2-one?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4-(2-propoxybenzoyl)piperazin-2-one (CID 70736935) is 1-[(2-fluorophenyl)methyl]-4-(2-propoxybenzoyl)piperazin-2-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4-(2-propoxybenzoyl)piperazin-2-one?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4-(2-propoxybenzoyl)piperazin-2-one is CCCOc1ccccc1C(=O)N1CCN(Cc2ccccc2F)C(=O)C1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4-(2-propoxybenzoyl)piperazin-2-one?
The InChIKey is OCXCEKCIGXGLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-2-13-27-19-10-6-4-8-17(19)21(26)24-12-11-23(20(25)15-24)14-16-7-3-5-9-18(16)22/h3-10H,2,11-15H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-4-(2-propoxybenzoyl)piperazin-2-one?
1-[(2-fluorophenyl)methyl]-4-(2-propoxybenzoyl)piperazin-2-one has a molecular weight of 370.42 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-4-(2-propoxybenzoyl)piperazin-2-one is sourced from PubChem (CID 70736935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).