[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone

C17H21F2N3O2 — CID 119316330

IUPAC[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
SMILESNC1(C(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)CCCC1
InChIInChI=1S/C17H21F2N3O2/c18-12-3-4-13(14(19)11-12)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
InChIKeyVKMLZBDEDPZEQY-UHFFFAOYSA-N
MW337.37 g/mol
LogP1.52
Rot. Bonds2

About [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone

[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone (PubChem CID 119316330) has the molecular formula C17H21F2N3O2 and a molecular weight of 337.37 g/mol. Its IUPAC name is [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
PubChem CID119316330
Molecular FormulaC17H21F2N3O2
Molecular Weight337.37 g/mol
Exact Mass337.16
IUPAC Name[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
SMILESNC1(C(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)CCCC1
InChIInChI=1S/C17H21F2N3O2/c18-12-3-4-13(14(19)11-12)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
InChIKeyVKMLZBDEDPZEQY-UHFFFAOYSA-N
XLogP1.52
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride
CID 119307828
[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 119281941
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 48868982
(1-aminocyclopentyl)-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
CID 119877513
[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methanone
CID 118621425
[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[2-fluoro-4-(1-methyl-2,3-dihydrobenzimidazol-5-yl)phenyl]methanone
CID 118639685
cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 110801627
[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119300875
[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(5-ethylidene-7,8-dihydro-6H-naphthalen-2-yl)-2-fluorophenyl]methanone
CID 123495845
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride
CID 119710223
(1-aminocyclopentyl)-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone
CID 119888907
(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]-(2,4-difluorophenyl)methanone?
The IUPAC name of [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone (CID 119316330) is [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone.
What is the SMILES notation for [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone?
The canonical SMILES for [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone is NC1(C(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)CCCC1.
What is the InChIKey of [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone?
The InChIKey is VKMLZBDEDPZEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O2/c18-12-3-4-13(14(19)11-12)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.
What are the key properties of [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone?
[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone has a molecular weight of 337.37 g/mol, XLogP of 1.52, 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]-(2,4-difluorophenyl)methanone is sourced from PubChem (CID 119316330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).