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

C15H21FN2O — CID 144662384

IUPAC4-butan-2-yl-1-[(4-fluorophenyl)methyl]piperazin-2-one
SMILESCCC(C)N1CCN(Cc2ccc(F)cc2)C(=O)C1
InChIInChI=1S/C15H21FN2O/c1-3-12(2)17-8-9-18(15(19)11-17)10-13-4-6-14(16)7-5-13/h4-7,12H,3,8-11H2,1-2H3
InChIKeyKANJKPNWZYVKMB-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.27
Rot. Bonds4

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

4-butan-2-yl-1-[(4-fluorophenyl)methyl]piperazin-2-one (PubChem CID 144662384) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 4-butan-2-yl-1-[(4-fluorophenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-butan-2-yl-1-[(4-fluorophenyl)methyl]piperazin-2-one
PubChem CID144662384
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name4-butan-2-yl-1-[(4-fluorophenyl)methyl]piperazin-2-one
SMILESCCC(C)N1CCN(Cc2ccc(F)cc2)C(=O)C1
InChIInChI=1S/C15H21FN2O/c1-3-12(2)17-8-9-18(15(19)11-17)10-13-4-6-14(16)7-5-13/h4-7,12H,3,8-11H2,1-2H3
InChIKeyKANJKPNWZYVKMB-UHFFFAOYSA-N
XLogP2.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-fluorophenyl)methyl]-1-propan-2-yl-1,4-diazepan-5-one
CID 26334076
4-ethyl-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 166827609
1-[(4-fluorophenyl)methyl]azetidin-2-one
CID 175277158
(2R)-2-[4-[(4-chlorophenyl)methyl]-3-oxopiperazin-1-yl]butanoic acid
CID 129401535
2-[4-[(4-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-2-thiophen-3-ylacetic acid
CID 72923615
ethane;1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 142142989
1-[(4-fluorophenyl)methyl]azepan-2-one
CID 154273809
1-[(4-fluorophenyl)methyl]-1,4-diazepane-2,5-dione
CID 64883955
N-[(2S)-butan-2-yl]-4-[[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]methyl]benzamide
CID 95092870
N-butan-2-yl-4-[[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]methyl]benzamide
CID 53135645
3-butan-2-yl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione
CID 64878994
1-[(4-fluorophenyl)methyl]-4-(1-nitropropyl)piperidin-2-one
CID 69068115

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-1-[(4-fluorophenyl)methyl]piperazin-2-one?
The IUPAC name of 4-butan-2-yl-1-[(4-fluorophenyl)methyl]piperazin-2-one (CID 144662384) is 4-butan-2-yl-1-[(4-fluorophenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-butan-2-yl-1-[(4-fluorophenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-butan-2-yl-1-[(4-fluorophenyl)methyl]piperazin-2-one is CCC(C)N1CCN(Cc2ccc(F)cc2)C(=O)C1.
What is the InChIKey of 4-butan-2-yl-1-[(4-fluorophenyl)methyl]piperazin-2-one?
The InChIKey is KANJKPNWZYVKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-3-12(2)17-8-9-18(15(19)11-17)10-13-4-6-14(16)7-5-13/h4-7,12H,3,8-11H2,1-2H3.
What are the key properties of 4-butan-2-yl-1-[(4-fluorophenyl)methyl]piperazin-2-one?
4-butan-2-yl-1-[(4-fluorophenyl)methyl]piperazin-2-one has a molecular weight of 264.34 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-1-[(4-fluorophenyl)methyl]piperazin-2-one is sourced from PubChem (CID 144662384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).