[4-(4-fluoroanilino)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone

C17H23FN2O2 — CID 110014469

IUPAC[4-(4-fluoroanilino)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone
SMILESO=C(C1CCCC1O)N1CCC(Nc2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN2O2/c18-12-4-6-13(7-5-12)19-14-8-10-20(11-9-14)17(22)15-2-1-3-16(15)21/h4-7,14-16,19,21H,1-3,8-11H2
InChIKeyTYKOAVBLRHLKFA-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.39
Rot. Bonds3

About [4-(4-fluoroanilino)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone

[4-(4-fluoroanilino)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone (PubChem CID 110014469) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is [4-(4-fluoroanilino)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone.

Molecular Properties

Compound Name[4-(4-fluoroanilino)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone
PubChem CID110014469
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name[4-(4-fluoroanilino)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone
SMILESO=C(C1CCCC1O)N1CCC(Nc2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN2O2/c18-12-4-6-13(7-5-12)19-14-8-10-20(11-9-14)17(22)15-2-1-3-16(15)21/h4-7,14-16,19,21H,1-3,8-11H2
InChIKeyTYKOAVBLRHLKFA-UHFFFAOYSA-N
XLogP2.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-[4-(4-methylanilino)piperidin-1-yl]methanone
CID 3936684
methyl 2-(4-anilinopiperidine-1-carbonyl)cyclopentane-1-carboxylate
CID 75473056
[6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluoroanilino)piperidin-1-yl]methanone
CID 126782325
(4-fluorophenyl)-[1-(2-hydroxycyclopentanecarbonyl)piperidin-3-yl]methanone
CID 110014714
cis-(1R,2S)-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 873866
trans-(1S,2S)-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 873868
2-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 2886463
(2-hydroxycyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 110013572
[4-(4-fluoroanilino)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 3488973
1-[4-[(6-fluoro-3-pyridinyl)amino]piperidin-1-yl]ethanone
CID 103825805
2-[4-[(4-fluorophenyl)carbamoylamino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119182618
[(1R,2S)-2-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 124699020

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluoroanilino)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone?
The IUPAC name of [4-(4-fluoroanilino)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone (CID 110014469) is [4-(4-fluoroanilino)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone.
What is the SMILES notation for [4-(4-fluoroanilino)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone?
The canonical SMILES for [4-(4-fluoroanilino)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone is O=C(C1CCCC1O)N1CCC(Nc2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluoroanilino)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone?
The InChIKey is TYKOAVBLRHLKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c18-12-4-6-13(7-5-12)19-14-8-10-20(11-9-14)17(22)15-2-1-3-16(15)21/h4-7,14-16,19,21H,1-3,8-11H2.
What are the key properties of [4-(4-fluoroanilino)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone?
[4-(4-fluoroanilino)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone has a molecular weight of 306.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluoroanilino)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone is sourced from PubChem (CID 110014469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).