(1-aminocyclobutyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C15H20FN3O — CID 81179571

IUPAC(1-aminocyclobutyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESNC1(C(=O)N2CCN(c3ccccc3F)CC2)CCC1
InChIInChI=1S/C15H20FN3O/c16-12-4-1-2-5-13(12)18-8-10-19(11-9-18)14(20)15(17)6-3-7-15/h1-2,4-5H,3,6-11,17H2
InChIKeyWZVONVUAKIYNIQ-UHFFFAOYSA-N
MW277.34 g/mol
LogP1.36
Rot. Bonds2

About (1-aminocyclobutyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

(1-aminocyclobutyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 81179571) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is (1-aminocyclobutyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclobutyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID81179571
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name(1-aminocyclobutyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESNC1(C(=O)N2CCN(c3ccccc3F)CC2)CCC1
InChIInChI=1S/C15H20FN3O/c16-12-4-1-2-5-13(12)18-8-10-19(11-9-18)14(20)15(17)6-3-7-15/h1-2,4-5H,3,6-11,17H2
InChIKeyWZVONVUAKIYNIQ-UHFFFAOYSA-N
XLogP1.36
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclohexyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 39058439
4-amino-1-(2-fluorophenyl)piperidine-4-carboxylic acid
CID 117011781
1-[4-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone;dihydrochloride
CID 119836968
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 108521142
1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone;hydrochloride
CID 102553352
[4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone
CID 119946056
2-(6-azaspiro[3.4]octan-6-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 167870965
[4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone;dihydrochloride
CID 119946055
4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one
CID 22692254
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone
CID 7328592
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[1-(sulfanylmethyl)cyclopropyl]ethanone
CID 107023624
2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetohydrazide
CID 54936333

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclobutyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (1-aminocyclobutyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 81179571) is (1-aminocyclobutyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclobutyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-aminocyclobutyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is NC1(C(=O)N2CCN(c3ccccc3F)CC2)CCC1.
What is the InChIKey of (1-aminocyclobutyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is WZVONVUAKIYNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c16-12-4-1-2-5-13(12)18-8-10-19(11-9-18)14(20)15(17)6-3-7-15/h1-2,4-5H,3,6-11,17H2.
What are the key properties of (1-aminocyclobutyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
(1-aminocyclobutyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 277.34 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclobutyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 81179571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).