1-[5-[3-(4,4-difluoropiperidine-1-carbonyl)phenyl]thiophen-2-yl]-2-methylpropan-1-one

C20H21F2NO2S — CID 121494320

IUPAC1-[5-[3-(4,4-difluoropiperidine-1-carbonyl)phenyl]thiophen-2-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc(-c2cccc(C(=O)N3CCC(F)(F)CC3)c2)s1
InChIInChI=1S/C20H21F2NO2S/c1-13(2)18(24)17-7-6-16(26-17)14-4-3-5-15(12-14)19(25)23-10-8-20(21,22)9-11-23/h3-7,12-13H,8-11H2,1-2H3
InChIKeyNRHXDLRCMFIUMM-UHFFFAOYSA-N
MW377.46 g/mol
LogP5.13
Rot. Bonds4

About 1-[5-[3-(4,4-difluoropiperidine-1-carbonyl)phenyl]thiophen-2-yl]-2-methylpropan-1-one

1-[5-[3-(4,4-difluoropiperidine-1-carbonyl)phenyl]thiophen-2-yl]-2-methylpropan-1-one (PubChem CID 121494320) has the molecular formula C20H21F2NO2S and a molecular weight of 377.46 g/mol. Its IUPAC name is 1-[5-[3-(4,4-difluoropiperidine-1-carbonyl)phenyl]thiophen-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[5-[3-(4,4-difluoropiperidine-1-carbonyl)phenyl]thiophen-2-yl]-2-methylpropan-1-one
PubChem CID121494320
Molecular FormulaC20H21F2NO2S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Name1-[5-[3-(4,4-difluoropiperidine-1-carbonyl)phenyl]thiophen-2-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc(-c2cccc(C(=O)N3CCC(F)(F)CC3)c2)s1
InChIInChI=1S/C20H21F2NO2S/c1-13(2)18(24)17-7-6-16(26-17)14-4-3-5-15(12-14)19(25)23-10-8-20(21,22)9-11-23/h3-7,12-13H,8-11H2,1-2H3
InChIKeyNRHXDLRCMFIUMM-UHFFFAOYSA-N
XLogP5.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.46
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-1-[5-[3-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]ethanone
CID 68507690
(2-tert-butyl-4-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 155245200
(4,4-difluoropiperidin-1-yl)-[6-(3-ethylphenyl)-3-pyridinyl]methanone
CID 123839744
1-[3-(5-methylthiophen-2-yl)benzoyl]piperidine-4-carboxamide
CID 91837200
[3-(2-bromophenyl)phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone
CID 170459978
4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-phenylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 59527744
(4,4-difluoropiperidin-1-yl)-(3-pyrazol-1-ylphenyl)methanone
CID 139027277
(4-hydroxy-4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
CID 81103143
[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 46413228
(4,4-difluoropiperidin-1-yl)-[3-(8-hydroxy-1,2-dihydroquinazolin-6-yl)phenyl]methanone
CID 151746235
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488
(4,4-difluoropiperidin-1-yl)-(2,6-dimethyl-4-pyridinyl)methanone
CID 77094058

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(4,4-difluoropiperidine-1-carbonyl)phenyl]thiophen-2-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[5-[3-(4,4-difluoropiperidine-1-carbonyl)phenyl]thiophen-2-yl]-2-methylpropan-1-one (CID 121494320) is 1-[5-[3-(4,4-difluoropiperidine-1-carbonyl)phenyl]thiophen-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[5-[3-(4,4-difluoropiperidine-1-carbonyl)phenyl]thiophen-2-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[5-[3-(4,4-difluoropiperidine-1-carbonyl)phenyl]thiophen-2-yl]-2-methylpropan-1-one is CC(C)C(=O)c1ccc(-c2cccc(C(=O)N3CCC(F)(F)CC3)c2)s1.
What is the InChIKey of 1-[5-[3-(4,4-difluoropiperidine-1-carbonyl)phenyl]thiophen-2-yl]-2-methylpropan-1-one?
The InChIKey is NRHXDLRCMFIUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO2S/c1-13(2)18(24)17-7-6-16(26-17)14-4-3-5-15(12-14)19(25)23-10-8-20(21,22)9-11-23/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of 1-[5-[3-(4,4-difluoropiperidine-1-carbonyl)phenyl]thiophen-2-yl]-2-methylpropan-1-one?
1-[5-[3-(4,4-difluoropiperidine-1-carbonyl)phenyl]thiophen-2-yl]-2-methylpropan-1-one has a molecular weight of 377.46 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(4,4-difluoropiperidine-1-carbonyl)phenyl]thiophen-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 121494320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).