[4,5-di(propan-2-yl)thiophen-2-yl]-(4-fluoro-4-methylpiperidin-1-yl)methanone

C17H26FNOS — CID 157109144

IUPAC[4,5-di(propan-2-yl)thiophen-2-yl]-(4-fluoro-4-methylpiperidin-1-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCC(C)(F)CC2)sc1C(C)C
InChIInChI=1S/C17H26FNOS/c1-11(2)13-10-14(21-15(13)12(3)4)16(20)19-8-6-17(5,18)7-9-19/h10-12H,6-9H2,1-5H3
InChIKeyHHLGZRCWIDHZBK-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.96
Rot. Bonds3

About [4,5-di(propan-2-yl)thiophen-2-yl]-(4-fluoro-4-methylpiperidin-1-yl)methanone

[4,5-di(propan-2-yl)thiophen-2-yl]-(4-fluoro-4-methylpiperidin-1-yl)methanone (PubChem CID 157109144) has the molecular formula C17H26FNOS and a molecular weight of 311.47 g/mol. Its IUPAC name is [4,5-di(propan-2-yl)thiophen-2-yl]-(4-fluoro-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4,5-di(propan-2-yl)thiophen-2-yl]-(4-fluoro-4-methylpiperidin-1-yl)methanone
PubChem CID157109144
Molecular FormulaC17H26FNOS
Molecular Weight311.47 g/mol
Exact Mass311.17
IUPAC Name[4,5-di(propan-2-yl)thiophen-2-yl]-(4-fluoro-4-methylpiperidin-1-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCC(C)(F)CC2)sc1C(C)C
InChIInChI=1S/C17H26FNOS/c1-11(2)13-10-14(21-15(13)12(3)4)16(20)19-8-6-17(5,18)7-9-19/h10-12H,6-9H2,1-5H3
InChIKeyHHLGZRCWIDHZBK-UHFFFAOYSA-N
XLogP4.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4,5-di(propan-2-yl)thiophen-2-yl]-(4-fluoro-4-methylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,3-difluoropiperidin-1-yl)-[4,5-di(propan-2-yl)thiophen-2-yl]methanone
CID 155457670
[4,5-di(propan-2-yl)thiophen-2-yl]-piperidin-1-ylmethanone
CID 155457468
(3-fluoro-3-methylpyrrolidin-1-yl)-(2-propan-2-ylphenyl)methanone
CID 164984129
(4,5-dimethylthiophen-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706841
(3-chloro-4-piperazin-1-ylphenyl)-(4-fluoro-4-methylpiperidin-1-yl)methanone
CID 174193797
(4,4-difluoropiperidin-1-yl)-(2-fluoro-5-propan-2-ylphenyl)methanone
CID 58290377
(3,3-difluoropyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone
CID 155572084
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706890
4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-(4-fluoro-4-methylpiperidine-1-carbonyl)-6-methylthieno[2,3-c]pyridin-7-one
CID 170335095
4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80703397
(4-hydroxy-4-methylpiperidin-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 80707284
(5-bromothiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304624

Frequently Asked Questions

What is the IUPAC name of [4,5-di(propan-2-yl)thiophen-2-yl]-(4-fluoro-4-methylpiperidin-1-yl)methanone?
The IUPAC name of [4,5-di(propan-2-yl)thiophen-2-yl]-(4-fluoro-4-methylpiperidin-1-yl)methanone (CID 157109144) is [4,5-di(propan-2-yl)thiophen-2-yl]-(4-fluoro-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4,5-di(propan-2-yl)thiophen-2-yl]-(4-fluoro-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4,5-di(propan-2-yl)thiophen-2-yl]-(4-fluoro-4-methylpiperidin-1-yl)methanone is CC(C)c1cc(C(=O)N2CCC(C)(F)CC2)sc1C(C)C.
What is the InChIKey of [4,5-di(propan-2-yl)thiophen-2-yl]-(4-fluoro-4-methylpiperidin-1-yl)methanone?
The InChIKey is HHLGZRCWIDHZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNOS/c1-11(2)13-10-14(21-15(13)12(3)4)16(20)19-8-6-17(5,18)7-9-19/h10-12H,6-9H2,1-5H3.
What are the key properties of [4,5-di(propan-2-yl)thiophen-2-yl]-(4-fluoro-4-methylpiperidin-1-yl)methanone?
[4,5-di(propan-2-yl)thiophen-2-yl]-(4-fluoro-4-methylpiperidin-1-yl)methanone has a molecular weight of 311.47 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-di(propan-2-yl)thiophen-2-yl]-(4-fluoro-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 157109144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).