2-amino-2-cyclopropyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

C16H22FN3O — CID 60867515

IUPAC2-amino-2-cyclopropyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESCC(N)(C(=O)N1CCN(c2ccc(F)cc2)CC1)C1CC1
InChIInChI=1S/C16H22FN3O/c1-16(18,12-2-3-12)15(21)20-10-8-19(9-11-20)14-6-4-13(17)5-7-14/h4-7,12H,2-3,8-11,18H2,1H3
InChIKeyPJJSYTMGXHKTHH-UHFFFAOYSA-N
MW291.37 g/mol
LogP1.60
Rot. Bonds3

About 2-amino-2-cyclopropyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

2-amino-2-cyclopropyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 60867515) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
PubChem CID60867515
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name2-amino-2-cyclopropyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESCC(N)(C(=O)N1CCN(c2ccc(F)cc2)CC1)C1CC1
InChIInChI=1S/C16H22FN3O/c1-16(18,12-2-3-12)15(21)20-10-8-19(9-11-20)14-6-4-13(17)5-7-14/h4-7,12H,2-3,8-11,18H2,1H3
InChIKeyPJJSYTMGXHKTHH-UHFFFAOYSA-N
XLogP1.60
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 64685927
3-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-propan-2-ylpropanamide
CID 108957222
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-2-(4-methylphenyl)propan-1-one
CID 113198059
N-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanamide
CID 108964923
2-(4-chlorophenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 113197527
N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 47127339
(2R)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827512
1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508298
ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate
CID 4179359
2-bromo-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 58778042
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120796792

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-amino-2-cyclopropyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (CID 60867515) is 2-amino-2-cyclopropyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-2-cyclopropyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-2-cyclopropyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is CC(N)(C(=O)N1CCN(c2ccc(F)cc2)CC1)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is PJJSYTMGXHKTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-16(18,12-2-3-12)15(21)20-10-8-19(9-11-20)14-6-4-13(17)5-7-14/h4-7,12H,2-3,8-11,18H2,1H3.
What are the key properties of 2-amino-2-cyclopropyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
2-amino-2-cyclopropyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one has a molecular weight of 291.37 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 60867515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).