[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride

C17H22Cl2FN3O2 — CID 119307828

IUPAC[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride
SMILESCl.NC1(C(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)CCCC1
InChIInChI=1S/C17H21ClFN3O2.ClH/c18-14-11-12(19)3-4-13(14)15(23)21-7-9-22(10-8-21)16(24)17(20)5-1-2-6-17;/h3-4,11H,1-2,5-10,20H2;1H
InChIKeyUAUAJIJLFMYEMZ-UHFFFAOYSA-N
MW390.29 g/mol
LogP2.46
Rot. Bonds2

About [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride

[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride (PubChem CID 119307828) has the molecular formula C17H22Cl2FN3O2 and a molecular weight of 390.29 g/mol. Its IUPAC name is [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride
PubChem CID119307828
Molecular FormulaC17H22Cl2FN3O2
Molecular Weight390.29 g/mol
Exact Mass389.11
IUPAC Name[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride
SMILESCl.NC1(C(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)CCCC1
InChIInChI=1S/C17H21ClFN3O2.ClH/c18-14-11-12(19)3-4-13(14)15(23)21-7-9-22(10-8-21)16(24)17(20)5-1-2-6-17;/h3-4,11H,1-2,5-10,20H2;1H
InChIKeyUAUAJIJLFMYEMZ-UHFFFAOYSA-N
XLogP2.46
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 119316330
(1-aminocyclopentyl)-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119853344
3-amino-1-(2-chloro-4-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 107323260
[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 119281941
(2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119756490
(2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46797435
(2S)-2-amino-1-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]propan-1-one
CID 119307814
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride
CID 119710223
[4-(2-chloroethyl)piperazin-1-yl]-(2-chloro-4-fluorophenyl)methanone
CID 63395300
(2S)-1-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-2-methylsulfanylpropan-1-one
CID 94413455
(3-aminocyclohexyl)-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119756470
(1-aminocyclopentyl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 119265625

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride?
The IUPAC name of [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride (CID 119307828) is [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride.
What is the SMILES notation for [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride?
The canonical SMILES for [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride is Cl.NC1(C(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)CCCC1.
What is the InChIKey of [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride?
The InChIKey is UAUAJIJLFMYEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClFN3O2.ClH/c18-14-11-12(19)3-4-13(14)15(23)21-7-9-22(10-8-21)16(24)17(20)5-1-2-6-17;/h3-4,11H,1-2,5-10,20H2;1H.
What are the key properties of [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride?
[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride has a molecular weight of 390.29 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride is sourced from PubChem (CID 119307828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).