[(1R,3R)-3-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone

C17H23FN2O2 — CID 124699739

IUPAC[(1R,3R)-3-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
SMILESN[C@@H]1CC[C@@H](C(=O)N2CCC(Oc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C17H23FN2O2/c18-13-2-5-15(6-3-13)22-16-7-9-20(10-8-16)17(21)12-1-4-14(19)11-12/h2-3,5-6,12,14,16H,1,4,7-11,19H2/t12-,14-/m1/s1
InChIKeySFOMPQMTKMIVHO-TZMCWYRMSA-N
MW306.38 g/mol
LogP2.32
Rot. Bonds3

About [(1R,3R)-3-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone

[(1R,3R)-3-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone (PubChem CID 124699739) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is [(1R,3R)-3-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,3R)-3-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
PubChem CID124699739
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name[(1R,3R)-3-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
SMILESN[C@@H]1CC[C@@H](C(=O)N2CCC(Oc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C17H23FN2O2/c18-13-2-5-15(6-3-13)22-16-7-9-20(10-8-16)17(21)12-1-4-14(19)11-12/h2-3,5-6,12,14,16H,1,4,7-11,19H2/t12-,14-/m1/s1
InChIKeySFOMPQMTKMIVHO-TZMCWYRMSA-N
XLogP2.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminocyclopentyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride
CID 119758474
[(1R,3S)-3-aminocyclopentyl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone
CID 124698060
[(1R,2S)-2-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 124699020
[(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 124698479
(3-aminocyclopentyl)-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119710026
trans-(1R,2R)-2-[4-(4-fluorophenoxy)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125119735
[4-(4-fluorophenoxy)piperidin-1-yl]-piperidin-3-ylmethanone
CID 119308981
(3-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone
CID 119815606
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
cis-(1R,3S)-3-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065602
cyclopropyl-[4-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone
CID 42116086
(3-aminocyclohexyl)-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119710030

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone?
The IUPAC name of [(1R,3R)-3-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone (CID 124699739) is [(1R,3R)-3-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for [(1R,3R)-3-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone?
The canonical SMILES for [(1R,3R)-3-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone is N[C@@H]1CC[C@@H](C(=O)N2CCC(Oc3ccc(F)cc3)CC2)C1.
What is the InChIKey of [(1R,3R)-3-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone?
The InChIKey is SFOMPQMTKMIVHO-TZMCWYRMSA-N. The full InChI is InChI=1S/C17H23FN2O2/c18-13-2-5-15(6-3-13)22-16-7-9-20(10-8-16)17(21)12-1-4-14(19)11-12/h2-3,5-6,12,14,16H,1,4,7-11,19H2/t12-,14-/m1/s1.
What are the key properties of [(1R,3R)-3-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone?
[(1R,3R)-3-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone has a molecular weight of 306.38 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 124699739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).