(4,5-diethylthiophen-2-yl)-(4,4-difluoropiperidin-1-yl)methanone

C14H19F2NOS — CID 155571985

IUPAC(4,5-diethylthiophen-2-yl)-(4,4-difluoropiperidin-1-yl)methanone
SMILESCCc1cc(C(=O)N2CCC(F)(F)CC2)sc1CC
InChIInChI=1S/C14H19F2NOS/c1-3-10-9-12(19-11(10)4-2)13(18)17-7-5-14(15,16)6-8-17/h9H,3-8H2,1-2H3
InChIKeyYDQMSKCCIOKDFV-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.74
Rot. Bonds3

About (4,5-diethylthiophen-2-yl)-(4,4-difluoropiperidin-1-yl)methanone

(4,5-diethylthiophen-2-yl)-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 155571985) has the molecular formula C14H19F2NOS and a molecular weight of 287.38 g/mol. Its IUPAC name is (4,5-diethylthiophen-2-yl)-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4,5-diethylthiophen-2-yl)-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID155571985
Molecular FormulaC14H19F2NOS
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC Name(4,5-diethylthiophen-2-yl)-(4,4-difluoropiperidin-1-yl)methanone
SMILESCCc1cc(C(=O)N2CCC(F)(F)CC2)sc1CC
InChIInChI=1S/C14H19F2NOS/c1-3-10-9-12(19-11(10)4-2)13(18)17-7-5-14(15,16)6-8-17/h9H,3-8H2,1-2H3
InChIKeyYDQMSKCCIOKDFV-UHFFFAOYSA-N
XLogP3.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Thiophene derivative, 3d
CID 15984018
Thiophene derivative, 3b
CID 25023796
Thiophene derivative, 3c
CID 25023797
Thiophene derivative, 3e
CID 25023798
N-(cyclohexylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023800
1-(5-{[Benzyl(methyl)amino]methyl}thiophen-2-yl)-2,2,2-trifluoroethan-1-one
CID 25023811
N-benzyl-N-methyl-4-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023816
N-[2-(4-fluorophenyl)ethyl]-5-methyl-2-thiophenecarboxamide
CID 1247475
N-benzyl-5-ethyl-4-methylthiophene-2-carboxamide
CID 2545956
[4-(5-Ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 4780261
(5-Ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
CID 6466553
1-(4,5,6,7-Tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide
CID 24979733

Frequently Asked Questions

What is the IUPAC name of (4,5-diethylthiophen-2-yl)-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of (4,5-diethylthiophen-2-yl)-(4,4-difluoropiperidin-1-yl)methanone (CID 155571985) is (4,5-diethylthiophen-2-yl)-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for (4,5-diethylthiophen-2-yl)-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for (4,5-diethylthiophen-2-yl)-(4,4-difluoropiperidin-1-yl)methanone is CCc1cc(C(=O)N2CCC(F)(F)CC2)sc1CC.
What is the InChIKey of (4,5-diethylthiophen-2-yl)-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is YDQMSKCCIOKDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NOS/c1-3-10-9-12(19-11(10)4-2)13(18)17-7-5-14(15,16)6-8-17/h9H,3-8H2,1-2H3.
What are the key properties of (4,5-diethylthiophen-2-yl)-(4,4-difluoropiperidin-1-yl)methanone?
(4,5-diethylthiophen-2-yl)-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 287.38 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-diethylthiophen-2-yl)-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 155571985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).