(3,4-difluorophenyl)-(4-thiophen-3-yloxypiperidin-1-yl)methanone

C16H15F2NO2S — CID 122246206

IUPAC(3,4-difluorophenyl)-(4-thiophen-3-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCC(Oc2ccsc2)CC1
InChIInChI=1S/C16H15F2NO2S/c17-14-2-1-11(9-15(14)18)16(20)19-6-3-12(4-7-19)21-13-5-8-22-10-13/h1-2,5,8-10,12H,3-4,6-7H2
InChIKeyRHFLYXXNWJAMFU-UHFFFAOYSA-N
MW323.36 g/mol
LogP3.71
Rot. Bonds3

About (3,4-difluorophenyl)-(4-thiophen-3-yloxypiperidin-1-yl)methanone

(3,4-difluorophenyl)-(4-thiophen-3-yloxypiperidin-1-yl)methanone (PubChem CID 122246206) has the molecular formula C16H15F2NO2S and a molecular weight of 323.36 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(4-thiophen-3-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(4-thiophen-3-yloxypiperidin-1-yl)methanone
PubChem CID122246206
Molecular FormulaC16H15F2NO2S
Molecular Weight323.36 g/mol
Exact Mass323.08
IUPAC Name(3,4-difluorophenyl)-(4-thiophen-3-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCC(Oc2ccsc2)CC1
InChIInChI=1S/C16H15F2NO2S/c17-14-2-1-11(9-15(14)18)16(20)19-6-3-12(4-7-19)21-13-5-8-22-10-13/h1-2,5,8-10,12H,3-4,6-7H2
InChIKeyRHFLYXXNWJAMFU-UHFFFAOYSA-N
XLogP3.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 84561785
thiophen-2-yl-(4-thiophen-3-yloxypiperidin-1-yl)methanone
CID 122246200
[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 84561758
(4-pyridin-4-yloxypiperidin-1-yl)-(4-thiophen-3-ylphenyl)methanone
CID 166377495
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone
CID 166377497
[4-(3,4-difluorophenoxy)piperidin-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone
CID 84563464
[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 67170363
[(3R)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-difluorophenyl)methanone
CID 129358042
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-difluorophenyl)methanone
CID 119105495
(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749741
methyl N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]carbamate
CID 110821660
1-(3,4-difluorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 110350822

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(4-thiophen-3-yloxypiperidin-1-yl)methanone?
The IUPAC name of (3,4-difluorophenyl)-(4-thiophen-3-yloxypiperidin-1-yl)methanone (CID 122246206) is (3,4-difluorophenyl)-(4-thiophen-3-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (3,4-difluorophenyl)-(4-thiophen-3-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (3,4-difluorophenyl)-(4-thiophen-3-yloxypiperidin-1-yl)methanone is O=C(c1ccc(F)c(F)c1)N1CCC(Oc2ccsc2)CC1.
What is the InChIKey of (3,4-difluorophenyl)-(4-thiophen-3-yloxypiperidin-1-yl)methanone?
The InChIKey is RHFLYXXNWJAMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2S/c17-14-2-1-11(9-15(14)18)16(20)19-6-3-12(4-7-19)21-13-5-8-22-10-13/h1-2,5,8-10,12H,3-4,6-7H2.
What are the key properties of (3,4-difluorophenyl)-(4-thiophen-3-yloxypiperidin-1-yl)methanone?
(3,4-difluorophenyl)-(4-thiophen-3-yloxypiperidin-1-yl)methanone has a molecular weight of 323.36 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(4-thiophen-3-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 122246206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).