[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone

C18H21FN2OS — CID 119493991

IUPAC[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2cc(-c3ccc(F)cc3)c(C)s2)C1
InChIInChI=1S/C18H21FN2OS/c1-12-16(13-5-7-14(19)8-6-13)10-17(23-12)18(22)21-9-3-4-15(11-21)20-2/h5-8,10,15,20H,3-4,9,11H2,1-2H3
InChIKeyGBEICOPOZBJXGE-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.69
Rot. Bonds3

About [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone

[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone (PubChem CID 119493991) has the molecular formula C18H21FN2OS and a molecular weight of 332.44 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone
PubChem CID119493991
Molecular FormulaC18H21FN2OS
Molecular Weight332.44 g/mol
Exact Mass332.14
IUPAC Name[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2cc(-c3ccc(F)cc3)c(C)s2)C1
InChIInChI=1S/C18H21FN2OS/c1-12-16(13-5-7-14(19)8-6-13)10-17(23-12)18(22)21-9-3-4-15(11-21)20-2/h5-8,10,15,20H,3-4,9,11H2,1-2H3
InChIKeyGBEICOPOZBJXGE-UHFFFAOYSA-N
XLogP3.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone with MolForge

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Related Compounds

N-(2-aminoethyl)-1-[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]piperidine-3-carboxamide
CID 119482473
1-[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]piperidine-4-carboxylic acid
CID 119349477
[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-piperazin-1-ylmethanone
CID 119403968
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone
CID 124696499
[2-fluoro-4-(4-fluorophenyl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488820
(5-fluoro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492604
[3-(methylamino)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 62536195
[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone
CID 124694495
[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone
CID 124690018
[(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 94475795

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone (CID 119493991) is [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone is CNC1CCCN(C(=O)c2cc(-c3ccc(F)cc3)c(C)s2)C1.
What is the InChIKey of [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is GBEICOPOZBJXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2OS/c1-12-16(13-5-7-14(19)8-6-13)10-17(23-12)18(22)21-9-3-4-15(11-21)20-2/h5-8,10,15,20H,3-4,9,11H2,1-2H3.
What are the key properties of [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone?
[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 332.44 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119493991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).