1-(2-ethylpiperidin-1-yl)-2-(2-fluorophenyl)sulfanylpropan-1-one

C16H22FNOS — CID 112778414

IUPAC1-(2-ethylpiperidin-1-yl)-2-(2-fluorophenyl)sulfanylpropan-1-one
SMILESCCC1CCCCN1C(=O)C(C)Sc1ccccc1F
InChIInChI=1S/C16H22FNOS/c1-3-13-8-6-7-11-18(13)16(19)12(2)20-15-10-5-4-9-14(15)17/h4-5,9-10,12-13H,3,6-8,11H2,1-2H3
InChIKeyUAPJPMQDVNWYSV-UHFFFAOYSA-N
MW295.42 g/mol
LogP4.10
Rot. Bonds4

About 1-(2-ethylpiperidin-1-yl)-2-(2-fluorophenyl)sulfanylpropan-1-one

1-(2-ethylpiperidin-1-yl)-2-(2-fluorophenyl)sulfanylpropan-1-one (PubChem CID 112778414) has the molecular formula C16H22FNOS and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-2-(2-fluorophenyl)sulfanylpropan-1-one.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-2-(2-fluorophenyl)sulfanylpropan-1-one
PubChem CID112778414
Molecular FormulaC16H22FNOS
Molecular Weight295.42 g/mol
Exact Mass295.14
IUPAC Name1-(2-ethylpiperidin-1-yl)-2-(2-fluorophenyl)sulfanylpropan-1-one
SMILESCCC1CCCCN1C(=O)C(C)Sc1ccccc1F
InChIInChI=1S/C16H22FNOS/c1-3-13-8-6-7-11-18(13)16(19)12(2)20-15-10-5-4-9-14(15)17/h4-5,9-10,12-13H,3,6-8,11H2,1-2H3
InChIKeyUAPJPMQDVNWYSV-UHFFFAOYSA-N
XLogP4.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-ethylpiperidin-1-yl)-2-(2-fluorophenyl)sulfanylpropan-1-one 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

1-(2-ethylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylpropan-1-one
CID 78761223
(2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylpropan-1-one
CID 93250399
1-(2-ethylpiperidin-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]propan-1-one
CID 46545523
2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 78762737
(2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one
CID 9263915
(2S)-1-[(2R)-2-ethylpiperidin-1-yl]-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one
CID 41084119
(2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropan-1-one
CID 40565685
N-(2,6-difluorophenyl)-2-ethylpiperidine-1-carboxamide
CID 108990928
1-(2-ethylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one
CID 78765300
3-[(2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidin-2-yl]propanoic acid
CID 124689702
3-[(2R)-1-[(2R)-2-(2-fluorophenyl)propanoyl]piperidin-2-yl]propanoic acid
CID 124690812
1-(2-ethylpiperidin-1-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one
CID 47138885

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-(2-fluorophenyl)sulfanylpropan-1-one?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-(2-fluorophenyl)sulfanylpropan-1-one (CID 112778414) is 1-(2-ethylpiperidin-1-yl)-2-(2-fluorophenyl)sulfanylpropan-1-one.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-2-(2-fluorophenyl)sulfanylpropan-1-one?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-2-(2-fluorophenyl)sulfanylpropan-1-one is CCC1CCCCN1C(=O)C(C)Sc1ccccc1F.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-2-(2-fluorophenyl)sulfanylpropan-1-one?
The InChIKey is UAPJPMQDVNWYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNOS/c1-3-13-8-6-7-11-18(13)16(19)12(2)20-15-10-5-4-9-14(15)17/h4-5,9-10,12-13H,3,6-8,11H2,1-2H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-2-(2-fluorophenyl)sulfanylpropan-1-one?
1-(2-ethylpiperidin-1-yl)-2-(2-fluorophenyl)sulfanylpropan-1-one has a molecular weight of 295.42 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-2-(2-fluorophenyl)sulfanylpropan-1-one is sourced from PubChem (CID 112778414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).