(5,5-difluoro-2-methylpiperidin-1-yl)-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone

C14H15F2N3OS — CID 136573175

IUPAC(5,5-difluoro-2-methylpiperidin-1-yl)-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone
SMILESCC1CCC(F)(F)CN1C(=O)c1ccc(-c2ccn[nH]2)s1
InChIInChI=1S/C14H15F2N3OS/c1-9-4-6-14(15,16)8-19(9)13(20)12-3-2-11(21-12)10-5-7-17-18-10/h2-3,5,7,9H,4,6,8H2,1H3,(H,17,18)
InChIKeyAPPHWXODTIEYOB-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.40
Rot. Bonds2

About (5,5-difluoro-2-methylpiperidin-1-yl)-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone

(5,5-difluoro-2-methylpiperidin-1-yl)-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone (PubChem CID 136573175) has the molecular formula C14H15F2N3OS and a molecular weight of 311.36 g/mol. Its IUPAC name is (5,5-difluoro-2-methylpiperidin-1-yl)-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name(5,5-difluoro-2-methylpiperidin-1-yl)-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone
PubChem CID136573175
Molecular FormulaC14H15F2N3OS
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name(5,5-difluoro-2-methylpiperidin-1-yl)-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone
SMILESCC1CCC(F)(F)CN1C(=O)c1ccc(-c2ccn[nH]2)s1
InChIInChI=1S/C14H15F2N3OS/c1-9-4-6-14(15,16)8-19(9)13(20)12-3-2-11(21-12)10-5-7-17-18-10/h2-3,5,7,9H,4,6,8H2,1H3,(H,17,18)
InChIKeyAPPHWXODTIEYOB-UHFFFAOYSA-N
XLogP3.40
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(1H-pyrazol-5-yl)spiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one
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CID 57335445
N-((1H-Pyrazol-3-yl)methyl)-5-fluorothiophene-2-carboxamide
CID 119056288
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CID 49676923
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CID 86264448
N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
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4-fluoro-1-[(5-{1-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyrrolidinyl}-2-thienyl)carbonyl]piperidine
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Frequently Asked Questions

What is the IUPAC name of (5,5-difluoro-2-methylpiperidin-1-yl)-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone?
The IUPAC name of (5,5-difluoro-2-methylpiperidin-1-yl)-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone (CID 136573175) is (5,5-difluoro-2-methylpiperidin-1-yl)-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone.
What is the SMILES notation for (5,5-difluoro-2-methylpiperidin-1-yl)-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone?
The canonical SMILES for (5,5-difluoro-2-methylpiperidin-1-yl)-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone is CC1CCC(F)(F)CN1C(=O)c1ccc(-c2ccn[nH]2)s1.
What is the InChIKey of (5,5-difluoro-2-methylpiperidin-1-yl)-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone?
The InChIKey is APPHWXODTIEYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3OS/c1-9-4-6-14(15,16)8-19(9)13(20)12-3-2-11(21-12)10-5-7-17-18-10/h2-3,5,7,9H,4,6,8H2,1H3,(H,17,18).
What are the key properties of (5,5-difluoro-2-methylpiperidin-1-yl)-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone?
(5,5-difluoro-2-methylpiperidin-1-yl)-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone has a molecular weight of 311.36 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-difluoro-2-methylpiperidin-1-yl)-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone is sourced from PubChem (CID 136573175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).