[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone

C18H21FN2OS — CID 124694495

IUPAC[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone
SMILESCc1sc(C(=O)N2CC[C@@H](N)C[C@@H]2C)cc1-c1ccc(F)cc1
InChIInChI=1S/C18H21FN2OS/c1-11-9-15(20)7-8-21(11)18(22)17-10-16(12(2)23-17)13-3-5-14(19)6-4-13/h3-6,10-11,15H,7-9,20H2,1-2H3/t11-,15+/m0/s1
InChIKeyADMVBPVUYGGBOK-XHDPSFHLSA-N
MW332.44 g/mol
LogP3.81
Rot. Bonds2

About [(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone

[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone (PubChem CID 124694495) has the molecular formula C18H21FN2OS and a molecular weight of 332.44 g/mol. Its IUPAC name is [(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone.

Molecular Properties

Compound Name[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone
PubChem CID124694495
Molecular FormulaC18H21FN2OS
Molecular Weight332.44 g/mol
Exact Mass332.14
IUPAC Name[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone
SMILESCc1sc(C(=O)N2CC[C@@H](N)C[C@@H]2C)cc1-c1ccc(F)cc1
InChIInChI=1S/C18H21FN2OS/c1-11-9-15(20)7-8-21(11)18(22)17-10-16(12(2)23-17)13-3-5-14(19)6-4-13/h3-6,10-11,15H,7-9,20H2,1-2H3/t11-,15+/m0/s1
InChIKeyADMVBPVUYGGBOK-XHDPSFHLSA-N
XLogP3.81
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone with MolForge

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Related Compounds

[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone
CID 124690018
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone
CID 124696499
[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone
CID 124694697
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-(4-fluorophenyl)-5-methylthiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119493991
[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(3,4,5-trifluorophenyl)phenyl]methanone
CID 124690117
(4-amino-2-methylpiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone
CID 113435999
[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 124576206
(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]methanone
CID 119375812
5-(4-amino-2-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103821481
(4-amino-2-methylpiperidin-1-yl)-(5-chloro-2-hydroxyphenyl)methanone
CID 113284360

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone?
The IUPAC name of [(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone (CID 124694495) is [(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone.
What is the SMILES notation for [(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone?
The canonical SMILES for [(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone is Cc1sc(C(=O)N2CC[C@@H](N)C[C@@H]2C)cc1-c1ccc(F)cc1.
What is the InChIKey of [(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone?
The InChIKey is ADMVBPVUYGGBOK-XHDPSFHLSA-N. The full InChI is InChI=1S/C18H21FN2OS/c1-11-9-15(20)7-8-21(11)18(22)17-10-16(12(2)23-17)13-3-5-14(19)6-4-13/h3-6,10-11,15H,7-9,20H2,1-2H3/t11-,15+/m0/s1.
What are the key properties of [(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone?
[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone has a molecular weight of 332.44 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone is sourced from PubChem (CID 124694495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).