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

C18H25F2N3O — CID 119877513

IUPAC(1-aminocyclopentyl)-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
SMILESCC(c1ccc(F)cc1F)N1CCN(C(=O)C2(N)CCCC2)CC1
InChIInChI=1S/C18H25F2N3O/c1-13(15-5-4-14(19)12-16(15)20)22-8-10-23(11-9-22)17(24)18(21)6-2-3-7-18/h4-5,12-13H,2-3,6-11,21H2,1H3
InChIKeyOIDITVXHCRAFSI-UHFFFAOYSA-N
MW337.41 g/mol
LogP2.44
Rot. Bonds3

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

(1-aminocyclopentyl)-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone (PubChem CID 119877513) has the molecular formula C18H25F2N3O and a molecular weight of 337.41 g/mol. Its IUPAC name is (1-aminocyclopentyl)-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclopentyl)-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
PubChem CID119877513
Molecular FormulaC18H25F2N3O
Molecular Weight337.41 g/mol
Exact Mass337.20
IUPAC Name(1-aminocyclopentyl)-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
SMILESCC(c1ccc(F)cc1F)N1CCN(C(=O)C2(N)CCCC2)CC1
InChIInChI=1S/C18H25F2N3O/c1-13(15-5-4-14(19)12-16(15)20)22-8-10-23(11-9-22)17(24)18(21)6-2-3-7-18/h4-5,12-13H,2-3,6-11,21H2,1H3
InChIKeyOIDITVXHCRAFSI-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
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
[(1R,2R)-2-aminocyclopentyl]-[4-[(1R)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
CID 125146639
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-aminocyclopropyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119852070
(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
2-amino-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 119877503
[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 122142183
2-[1-(2,4-difluorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 115573568

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (1-aminocyclopentyl)-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone (CID 119877513) is (1-aminocyclopentyl)-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclopentyl)-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (1-aminocyclopentyl)-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone is CC(c1ccc(F)cc1F)N1CCN(C(=O)C2(N)CCCC2)CC1.
What is the InChIKey of (1-aminocyclopentyl)-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone?
The InChIKey is OIDITVXHCRAFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N3O/c1-13(15-5-4-14(19)12-16(15)20)22-8-10-23(11-9-22)17(24)18(21)6-2-3-7-18/h4-5,12-13H,2-3,6-11,21H2,1H3.
What are the key properties of (1-aminocyclopentyl)-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone?
(1-aminocyclopentyl)-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone has a molecular weight of 337.41 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 119877513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).