[(1R,2R)-2-aminocyclopentyl]-[4-[(1R)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone

C18H25F2N3O — CID 125146639

IUPAC[(1R,2R)-2-aminocyclopentyl]-[4-[(1R)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
SMILESC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@@H]2CCC[C@H]2N)CC1
InChIInChI=1S/C18H25F2N3O/c1-12(14-6-5-13(19)11-16(14)20)22-7-9-23(10-8-22)18(24)15-3-2-4-17(15)21/h5-6,11-12,15,17H,2-4,7-10,21H2,1H3/t12-,15-,17-/m1/s1
InChIKeyMZJBXNUCBSETLE-SRCQZFHVSA-N
MW337.41 g/mol
LogP2.30
Rot. Bonds3

About [(1R,2R)-2-aminocyclopentyl]-[4-[(1R)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone

[(1R,2R)-2-aminocyclopentyl]-[4-[(1R)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone (PubChem CID 125146639) has the molecular formula C18H25F2N3O and a molecular weight of 337.41 g/mol. Its IUPAC name is [(1R,2R)-2-aminocyclopentyl]-[4-[(1R)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,2R)-2-aminocyclopentyl]-[4-[(1R)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
PubChem CID125146639
Molecular FormulaC18H25F2N3O
Molecular Weight337.41 g/mol
Exact Mass337.20
IUPAC Name[(1R,2R)-2-aminocyclopentyl]-[4-[(1R)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
SMILESC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@@H]2CCC[C@H]2N)CC1
InChIInChI=1S/C18H25F2N3O/c1-12(14-6-5-13(19)11-16(14)20)22-7-9-23(10-8-22)18(24)15-3-2-4-17(15)21/h5-6,11-12,15,17H,2-4,7-10,21H2,1H3/t12-,15-,17-/m1/s1
InChIKeyMZJBXNUCBSETLE-SRCQZFHVSA-N
XLogP2.30
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1R,2R)-2-aminocyclopentyl]-[4-[(1R)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(1-aminocyclopentyl)-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
CID 119877513
[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride
CID 119877516
1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-ol
CID 110901948
2-amino-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 119877493
3-amino-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 119953698
2-[4-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]acetamide
CID 94435985
2-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]acetamide
CID 56818364
1-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]ethanol
CID 111114048
[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 122142183
1-[1-(2,4-difluorophenyl)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904479
(5-amino-2-methylphenyl)-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
CID 120646250
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]ethanone
CID 119877527

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-aminocyclopentyl]-[4-[(1R)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of [(1R,2R)-2-aminocyclopentyl]-[4-[(1R)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone (CID 125146639) is [(1R,2R)-2-aminocyclopentyl]-[4-[(1R)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for [(1R,2R)-2-aminocyclopentyl]-[4-[(1R)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for [(1R,2R)-2-aminocyclopentyl]-[4-[(1R)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone is C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@@H]2CCC[C@H]2N)CC1.
What is the InChIKey of [(1R,2R)-2-aminocyclopentyl]-[4-[(1R)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone?
The InChIKey is MZJBXNUCBSETLE-SRCQZFHVSA-N. The full InChI is InChI=1S/C18H25F2N3O/c1-12(14-6-5-13(19)11-16(14)20)22-7-9-23(10-8-22)18(24)15-3-2-4-17(15)21/h5-6,11-12,15,17H,2-4,7-10,21H2,1H3/t12-,15-,17-/m1/s1.
What are the key properties of [(1R,2R)-2-aminocyclopentyl]-[4-[(1R)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone?
[(1R,2R)-2-aminocyclopentyl]-[4-[(1R)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone has a molecular weight of 337.41 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-aminocyclopentyl]-[4-[(1R)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 125146639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).