4-[3-amino-2-(4-fluorophenyl)propanoyl]-1-cyclopropylpiperazin-2-one;hydrochloride

C16H21ClFN3O2 — CID 120633509

IUPAC4-[3-amino-2-(4-fluorophenyl)propanoyl]-1-cyclopropylpiperazin-2-one;hydrochloride
SMILESCl.NCC(C(=O)N1CCN(C2CC2)C(=O)C1)c1ccc(F)cc1
InChIInChI=1S/C16H20FN3O2.ClH/c17-12-3-1-11(2-4-12)14(9-18)16(22)19-7-8-20(13-5-6-13)15(21)10-19;/h1-4,13-14H,5-10,18H2;1H
InChIKeyBNTHYHPZSAGQME-UHFFFAOYSA-N
MW341.81 g/mol
LogP1.12
Rot. Bonds4

About 4-[3-amino-2-(4-fluorophenyl)propanoyl]-1-cyclopropylpiperazin-2-one;hydrochloride

4-[3-amino-2-(4-fluorophenyl)propanoyl]-1-cyclopropylpiperazin-2-one;hydrochloride (PubChem CID 120633509) has the molecular formula C16H21ClFN3O2 and a molecular weight of 341.81 g/mol. Its IUPAC name is 4-[3-amino-2-(4-fluorophenyl)propanoyl]-1-cyclopropylpiperazin-2-one;hydrochloride.

Molecular Properties

Compound Name4-[3-amino-2-(4-fluorophenyl)propanoyl]-1-cyclopropylpiperazin-2-one;hydrochloride
PubChem CID120633509
Molecular FormulaC16H21ClFN3O2
Molecular Weight341.81 g/mol
Exact Mass341.13
IUPAC Name4-[3-amino-2-(4-fluorophenyl)propanoyl]-1-cyclopropylpiperazin-2-one;hydrochloride
SMILESCl.NCC(C(=O)N1CCN(C2CC2)C(=O)C1)c1ccc(F)cc1
InChIInChI=1S/C16H20FN3O2.ClH/c17-12-3-1-11(2-4-12)14(9-18)16(22)19-7-8-20(13-5-6-13)15(21)10-19;/h1-4,13-14H,5-10,18H2;1H
InChIKeyBNTHYHPZSAGQME-UHFFFAOYSA-N
XLogP1.12
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.81
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-2-aminobutanoyl]-1-cyclopropylpiperazin-2-one;hydrochloride
CID 75495697
4-[(2R)-2-aminopropanoyl]-1-cyclopropylpiperazin-2-one
CID 119326508
1-cyclopropyl-4-(2-phenylpropanoyl)piperazin-2-one
CID 119034196
1-cyclopropyl-4-[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperazin-2-one
CID 97077904
1-cyclopentyl-4-[2-(2-fluorophenyl)-2-hydroxyacetyl]piperazin-2-one
CID 77081733
1-cyclopentyl-4-[(2S)-2-(2-fluorophenyl)-2-hydroxyacetyl]piperazin-2-one
CID 99929160
1-cyclopropyl-4-propanoylpiperazin-2-one
CID 110720711
4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-1-cyclohexylpiperazin-2-one
CID 118775809
1-cyclopropyl-4-(2-phenylacetyl)piperazin-2-one
CID 110720747
4-[(2S)-2-cycloheptyloxypropanoyl]-1-cyclopropylpiperazin-2-one
CID 97321014
4-cyclopropyl-N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-N'-methyl-3-oxopiperazine-1-carboximidamide
CID 119157230
4-cyclopropyl-N-[2-(3-fluorophenyl)-2-hydroxyethyl]-N'-methyl-3-oxopiperazine-1-carboximidamide
CID 119152873

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-2-(4-fluorophenyl)propanoyl]-1-cyclopropylpiperazin-2-one;hydrochloride?
The IUPAC name of 4-[3-amino-2-(4-fluorophenyl)propanoyl]-1-cyclopropylpiperazin-2-one;hydrochloride (CID 120633509) is 4-[3-amino-2-(4-fluorophenyl)propanoyl]-1-cyclopropylpiperazin-2-one;hydrochloride.
What is the SMILES notation for 4-[3-amino-2-(4-fluorophenyl)propanoyl]-1-cyclopropylpiperazin-2-one;hydrochloride?
The canonical SMILES for 4-[3-amino-2-(4-fluorophenyl)propanoyl]-1-cyclopropylpiperazin-2-one;hydrochloride is Cl.NCC(C(=O)N1CCN(C2CC2)C(=O)C1)c1ccc(F)cc1.
What is the InChIKey of 4-[3-amino-2-(4-fluorophenyl)propanoyl]-1-cyclopropylpiperazin-2-one;hydrochloride?
The InChIKey is BNTHYHPZSAGQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2.ClH/c17-12-3-1-11(2-4-12)14(9-18)16(22)19-7-8-20(13-5-6-13)15(21)10-19;/h1-4,13-14H,5-10,18H2;1H.
What are the key properties of 4-[3-amino-2-(4-fluorophenyl)propanoyl]-1-cyclopropylpiperazin-2-one;hydrochloride?
4-[3-amino-2-(4-fluorophenyl)propanoyl]-1-cyclopropylpiperazin-2-one;hydrochloride has a molecular weight of 341.81 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-2-(4-fluorophenyl)propanoyl]-1-cyclopropylpiperazin-2-one;hydrochloride is sourced from PubChem (CID 120633509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).