[(1R,2S)-2-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone

C17H23FN2O2 — CID 124699020

IUPAC[(1R,2S)-2-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
SMILESN[C@H]1CCC[C@H]1C(=O)N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN2O2/c18-12-4-6-13(7-5-12)22-14-8-10-20(11-9-14)17(21)15-2-1-3-16(15)19/h4-7,14-16H,1-3,8-11,19H2/t15-,16+/m1/s1
InChIKeyCNPXDDUNDUXBJQ-CVEARBPZSA-N
MW306.38 g/mol
LogP2.32
Rot. Bonds3

About [(1R,2S)-2-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone

[(1R,2S)-2-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone (PubChem CID 124699020) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is [(1R,2S)-2-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,2S)-2-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
PubChem CID124699020
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name[(1R,2S)-2-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
SMILESN[C@H]1CCC[C@H]1C(=O)N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN2O2/c18-12-4-6-13(7-5-12)22-14-8-10-20(11-9-14)17(21)15-2-1-3-16(15)19/h4-7,14-16H,1-3,8-11,19H2/t15-,16+/m1/s1
InChIKeyCNPXDDUNDUXBJQ-CVEARBPZSA-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

trans-(1R,2R)-2-[4-(4-fluorophenoxy)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125119735
[(1R,3R)-3-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 124699739
(3-aminocyclopentyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride
CID 119758474
[(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 124698479
[4-(4-fluorophenoxy)piperidin-1-yl]-piperidin-3-ylmethanone
CID 119308981
cis-(1R,3S)-3-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065602
(1-aminocyclohexyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride
CID 119308982
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
cyclopropyl-[4-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone
CID 42116086
[4-(4-fluorophenoxy)piperidin-1-yl]-(2-piperidin-1-ylpyrimidin-5-yl)methanone
CID 46971656
[4-(4-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 110396962
(2R)-2-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 67530037

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone?
The IUPAC name of [(1R,2S)-2-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone (CID 124699020) is [(1R,2S)-2-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for [(1R,2S)-2-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone?
The canonical SMILES for [(1R,2S)-2-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone is N[C@H]1CCC[C@H]1C(=O)N1CCC(Oc2ccc(F)cc2)CC1.
What is the InChIKey of [(1R,2S)-2-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone?
The InChIKey is CNPXDDUNDUXBJQ-CVEARBPZSA-N. The full InChI is InChI=1S/C17H23FN2O2/c18-12-4-6-13(7-5-12)22-14-8-10-20(11-9-14)17(21)15-2-1-3-16(15)19/h4-7,14-16H,1-3,8-11,19H2/t15-,16+/m1/s1.
What are the key properties of [(1R,2S)-2-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone?
[(1R,2S)-2-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,2S)-2-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 124699020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).