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

C17H21FN2O3 — CID 56753009

IUPAC1-[(4-fluorophenyl)methyl]-4-(2-methyloxolane-2-carbonyl)piperazin-2-one
SMILESCC1(C(=O)N2CCN(Cc3ccc(F)cc3)C(=O)C2)CCCO1
InChIInChI=1S/C17H21FN2O3/c1-17(7-2-10-23-17)16(22)20-9-8-19(15(21)12-20)11-13-3-5-14(18)6-4-13/h3-6H,2,7-12H2,1H3
InChIKeyIDXQQSOKUIHTKQ-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.57
Rot. Bonds3

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

1-[(4-fluorophenyl)methyl]-4-(2-methyloxolane-2-carbonyl)piperazin-2-one (PubChem CID 56753009) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-(2-methyloxolane-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-(2-methyloxolane-2-carbonyl)piperazin-2-one
PubChem CID56753009
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name1-[(4-fluorophenyl)methyl]-4-(2-methyloxolane-2-carbonyl)piperazin-2-one
SMILESCC1(C(=O)N2CCN(Cc3ccc(F)cc3)C(=O)C2)CCCO1
InChIInChI=1S/C17H21FN2O3/c1-17(7-2-10-23-17)16(22)20-9-8-19(15(21)12-20)11-13-3-5-14(18)6-4-13/h3-6H,2,7-12H2,1H3
InChIKeyIDXQQSOKUIHTKQ-UHFFFAOYSA-N
XLogP1.57
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(4-fluorophenyl)methyl]-4-(2-methyloxolane-2-carbonyl)piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Oxolan-2-yl-[4-(2,3,4,5-tetrafluorobenzoyl)piperazin-1-yl]methanone
CID 4843810
(4-Benzhydrylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 3860526
2-(2-Methylphenyl)-1-[4-(oxolan-2-ylcarbonyl)piperazinyl]ethan-1-one
CID 6465369
2-(4-Methylphenyl)-1-[4-(oxolan-2-ylcarbonyl)piperazinyl]ethan-1-one
CID 6471054
[4-(4-Methylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 16276669
US10927128, Example 89
CID 135374653
US10927128, Example 71
CID 135374664
US10927128, Example 84
CID 135374773
US10927128, Example 70
CID 135374933
N-benzyl-2-(4-fluorophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 53384012
1-(4-Methylbenzyl)-4-(tetrahydro-2-furanylcarbonyl)piperazine
CID 2971292
US10689398, Example 63
CID 129053850

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-(2-methyloxolane-2-carbonyl)piperazin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-(2-methyloxolane-2-carbonyl)piperazin-2-one (CID 56753009) is 1-[(4-fluorophenyl)methyl]-4-(2-methyloxolane-2-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-(2-methyloxolane-2-carbonyl)piperazin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-(2-methyloxolane-2-carbonyl)piperazin-2-one is CC1(C(=O)N2CCN(Cc3ccc(F)cc3)C(=O)C2)CCCO1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-(2-methyloxolane-2-carbonyl)piperazin-2-one?
The InChIKey is IDXQQSOKUIHTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-17(7-2-10-23-17)16(22)20-9-8-19(15(21)12-20)11-13-3-5-14(18)6-4-13/h3-6H,2,7-12H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-(2-methyloxolane-2-carbonyl)piperazin-2-one?
1-[(4-fluorophenyl)methyl]-4-(2-methyloxolane-2-carbonyl)piperazin-2-one has a molecular weight of 320.36 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-(2-methyloxolane-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 56753009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).