(3,3-difluorocyclobutyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone

C16H20F2N2O — CID 154853506

IUPAC(3,3-difluorocyclobutyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)C3CC(F)(F)C3)CC2)c1
InChIInChI=1S/C16H20F2N2O/c1-12-3-2-4-14(9-12)19-5-7-20(8-6-19)15(21)13-10-16(17,18)11-13/h2-4,9,13H,5-8,10-11H2,1H3
InChIKeyUGWGECNHCSGBIS-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.69
Rot. Bonds2

About (3,3-difluorocyclobutyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone

(3,3-difluorocyclobutyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone (PubChem CID 154853506) has the molecular formula C16H20F2N2O and a molecular weight of 294.34 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
PubChem CID154853506
Molecular FormulaC16H20F2N2O
Molecular Weight294.34 g/mol
Exact Mass294.15
IUPAC Name(3,3-difluorocyclobutyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)C3CC(F)(F)C3)CC2)c1
InChIInChI=1S/C16H20F2N2O/c1-12-3-2-4-14(9-12)19-5-7-20(8-6-19)15(21)13-10-16(17,18)11-13/h2-4,9,13H,5-8,10-11H2,1H3
InChIKeyUGWGECNHCSGBIS-UHFFFAOYSA-N
XLogP2.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone
CID 109131849
[4-(3-methylphenyl)piperazin-1-yl]-[4-(morpholine-4-carbonyl)cyclohexyl]methanone
CID 109146784
N-cyclopropyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 109144708
N-(3-methylbutyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 109149372
1-[3-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one
CID 136516670
[4-(3-methylphenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 25398339
2,2-dimethyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958401
[4-(3-methylphenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]methanone
CID 71794792
1-(3-fluorophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 113190156
[4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295146
1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508453
[4-(3-methylphenyl)piperazin-1-yl]-[2-(morpholine-4-carbonyl)cyclopropyl]methanone
CID 109133316

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (3,3-difluorocyclobutyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone (CID 154853506) is (3,3-difluorocyclobutyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,3-difluorocyclobutyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,3-difluorocyclobutyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone is Cc1cccc(N2CCN(C(=O)C3CC(F)(F)C3)CC2)c1.
What is the InChIKey of (3,3-difluorocyclobutyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is UGWGECNHCSGBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O/c1-12-3-2-4-14(9-12)19-5-7-20(8-6-19)15(21)13-10-16(17,18)11-13/h2-4,9,13H,5-8,10-11H2,1H3.
What are the key properties of (3,3-difluorocyclobutyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
(3,3-difluorocyclobutyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 294.34 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 154853506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).