[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride

C15H19ClFN3O2 — CID 119710223

IUPAC[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride
SMILESCl.NC1(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)CC1
InChIInChI=1S/C15H18FN3O2.ClH/c16-12-3-1-2-11(10-12)13(20)18-6-8-19(9-7-18)14(21)15(17)4-5-15;/h1-3,10H,4-9,17H2;1H
InChIKeyKELPBYZXWDDIMI-UHFFFAOYSA-N
MW327.79 g/mol
LogP1.02
Rot. Bonds2

About [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride

[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride (PubChem CID 119710223) has the molecular formula C15H19ClFN3O2 and a molecular weight of 327.79 g/mol. Its IUPAC name is [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride
PubChem CID119710223
Molecular FormulaC15H19ClFN3O2
Molecular Weight327.79 g/mol
Exact Mass327.11
IUPAC Name[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride
SMILESCl.NC1(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)CC1
InChIInChI=1S/C15H18FN3O2.ClH/c16-12-3-1-2-11(10-12)13(20)18-6-8-19(9-7-18)14(21)15(17)4-5-15;/h1-3,10H,4-9,17H2;1H
InChIKeyKELPBYZXWDDIMI-UHFFFAOYSA-N
XLogP1.02
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 119703799
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
3-amino-1-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119282235
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
CID 119291542
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 119710242
[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 119281941
(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110365297
(3-fluorophenyl)-[4-(3,4,5-trihydroxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108545753
[4-(aminomethyl)phenyl]-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119282247
2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083234
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110365289

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride?
The IUPAC name of [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride (CID 119710223) is [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride.
What is the SMILES notation for [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride?
The canonical SMILES for [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride is Cl.NC1(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)CC1.
What is the InChIKey of [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride?
The InChIKey is KELPBYZXWDDIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2.ClH/c16-12-3-1-2-11(10-12)13(20)18-6-8-19(9-7-18)14(21)15(17)4-5-15;/h1-3,10H,4-9,17H2;1H.
What are the key properties of [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride?
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride has a molecular weight of 327.79 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride is sourced from PubChem (CID 119710223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).