4-(bicyclo[1.1.0]butane-1-carbonyl)-1-(4-fluorophenyl)-3,3-dimethylpiperazin-2-one

C17H19FN2O2 — CID 166427384

IUPAC4-(bicyclo[1.1.0]butane-1-carbonyl)-1-(4-fluorophenyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)N(c2ccc(F)cc2)CCN1C(=O)C12CC1C2
InChIInChI=1S/C17H19FN2O2/c1-16(2)14(21)19(13-5-3-12(18)4-6-13)7-8-20(16)15(22)17-9-11(17)10-17/h3-6,11H,7-10H2,1-2H3
InChIKeyHMJGSFBMVRVKME-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.19
Rot. Bonds2

About 4-(bicyclo[1.1.0]butane-1-carbonyl)-1-(4-fluorophenyl)-3,3-dimethylpiperazin-2-one

4-(bicyclo[1.1.0]butane-1-carbonyl)-1-(4-fluorophenyl)-3,3-dimethylpiperazin-2-one (PubChem CID 166427384) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 4-(bicyclo[1.1.0]butane-1-carbonyl)-1-(4-fluorophenyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(bicyclo[1.1.0]butane-1-carbonyl)-1-(4-fluorophenyl)-3,3-dimethylpiperazin-2-one
PubChem CID166427384
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name4-(bicyclo[1.1.0]butane-1-carbonyl)-1-(4-fluorophenyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)N(c2ccc(F)cc2)CCN1C(=O)C12CC1C2
InChIInChI=1S/C17H19FN2O2/c1-16(2)14(21)19(13-5-3-12(18)4-6-13)7-8-20(16)15(22)17-9-11(17)10-17/h3-6,11H,7-10H2,1-2H3
InChIKeyHMJGSFBMVRVKME-UHFFFAOYSA-N
XLogP2.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-3,3-dimethylpiperidin-2-one
CID 146432816
[1-(4-fluorophenyl)-3-methyl-2-oxopyrrolidin-3-yl] acetate
CID 174592654
(3S)-1-(4-fluorophenyl)-3-methyl-2-oxo-N-propan-2-ylpiperidine-3-carboxamide
CID 58988014
(3R)-1-(4-fluorophenyl)-3-methyl-2-oxo-N-propan-2-ylpiperidine-3-carboxamide
CID 58988012
3,3,4-trimethyl-1-phenylpiperazin-2-one
CID 146646234
1-(4-fluorophenyl)-3-propan-2-ylimidazolidin-2-one
CID 129202932
1-[(3R)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-methylurea
CID 95051247
1-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-methylurea
CID 53014855
(3S)-4-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3-methylpiperazin-2-one
CID 93321778
(3R)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 40649107
3-(4-fluorophenyl)-1,5,5-trimethylimidazolidine-2,4-dione
CID 62817631
2-[2-(4-cyclopropylphenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-N-(4-fluorophenyl)acetamide
CID 53234091

Frequently Asked Questions

What is the IUPAC name of 4-(bicyclo[1.1.0]butane-1-carbonyl)-1-(4-fluorophenyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(bicyclo[1.1.0]butane-1-carbonyl)-1-(4-fluorophenyl)-3,3-dimethylpiperazin-2-one (CID 166427384) is 4-(bicyclo[1.1.0]butane-1-carbonyl)-1-(4-fluorophenyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(bicyclo[1.1.0]butane-1-carbonyl)-1-(4-fluorophenyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(bicyclo[1.1.0]butane-1-carbonyl)-1-(4-fluorophenyl)-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)N(c2ccc(F)cc2)CCN1C(=O)C12CC1C2.
What is the InChIKey of 4-(bicyclo[1.1.0]butane-1-carbonyl)-1-(4-fluorophenyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is HMJGSFBMVRVKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-16(2)14(21)19(13-5-3-12(18)4-6-13)7-8-20(16)15(22)17-9-11(17)10-17/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 4-(bicyclo[1.1.0]butane-1-carbonyl)-1-(4-fluorophenyl)-3,3-dimethylpiperazin-2-one?
4-(bicyclo[1.1.0]butane-1-carbonyl)-1-(4-fluorophenyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 302.35 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bicyclo[1.1.0]butane-1-carbonyl)-1-(4-fluorophenyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 166427384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).