[(1S,3S)-3-aminocyclopentyl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone

C17H24FN3O2 — CID 124686187

IUPAC[(1S,3S)-3-aminocyclopentyl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cc(F)ccc1N1CCN(C(=O)[C@H]2CC[C@H](N)C2)CC1
InChIInChI=1S/C17H24FN3O2/c1-23-16-11-13(18)3-5-15(16)20-6-8-21(9-7-20)17(22)12-2-4-14(19)10-12/h3,5,11-12,14H,2,4,6-10,19H2,1H3/t12-,14-/m0/s1
InChIKeyCTCJGTVQTORXIA-JSGCOSHPSA-N
MW321.40 g/mol
LogP1.61
Rot. Bonds3

About [(1S,3S)-3-aminocyclopentyl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone

[(1S,3S)-3-aminocyclopentyl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 124686187) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is [(1S,3S)-3-aminocyclopentyl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,3S)-3-aminocyclopentyl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID124686187
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name[(1S,3S)-3-aminocyclopentyl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cc(F)ccc1N1CCN(C(=O)[C@H]2CC[C@H](N)C2)CC1
InChIInChI=1S/C17H24FN3O2/c1-23-16-11-13(18)3-5-15(16)20-6-8-21(9-7-20)17(22)12-2-4-14(19)10-12/h3,5,11-12,14H,2,4,6-10,19H2,1H3/t12-,14-/m0/s1
InChIKeyCTCJGTVQTORXIA-JSGCOSHPSA-N
XLogP1.61
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1S,3S)-3-aminocyclopentyl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-aminocyclohexyl)-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 119888902
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 119888900
[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119888948
[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone
CID 119888881
[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(2R,3R)-2-methyloxan-3-yl]methanone
CID 129401856
3-amino-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120504044
[(1S,3S)-3-aminocyclopentyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 124691079
(2R)-2-amino-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119888914
2-fluoro-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 122157838
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119888920
[(1S,3R)-3-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 124523270
(1-aminocyclopentyl)-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone
CID 119888907

Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-3-aminocyclopentyl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [(1S,3S)-3-aminocyclopentyl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone (CID 124686187) is [(1S,3S)-3-aminocyclopentyl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(1S,3S)-3-aminocyclopentyl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [(1S,3S)-3-aminocyclopentyl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone is COc1cc(F)ccc1N1CCN(C(=O)[C@H]2CC[C@H](N)C2)CC1.
What is the InChIKey of [(1S,3S)-3-aminocyclopentyl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is CTCJGTVQTORXIA-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-23-16-11-13(18)3-5-15(16)20-6-8-21(9-7-20)17(22)12-2-4-14(19)10-12/h3,5,11-12,14H,2,4,6-10,19H2,1H3/t12-,14-/m0/s1.
What are the key properties of [(1S,3S)-3-aminocyclopentyl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone?
[(1S,3S)-3-aminocyclopentyl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 321.40 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-3-aminocyclopentyl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 124686187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).