(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]methanone

C17H19FN2OS — CID 119375812

IUPAC(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]methanone
SMILESCc1cc(C(=O)N2CCC(N)CC2)sc1-c1ccc(F)cc1
InChIInChI=1S/C17H19FN2OS/c1-11-10-15(17(21)20-8-6-14(19)7-9-20)22-16(11)12-2-4-13(18)5-3-12/h2-5,10,14H,6-9,19H2,1H3
InChIKeyXYDSDVXNLGGTBR-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.43
Rot. Bonds2

About (4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]methanone

(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]methanone (PubChem CID 119375812) has the molecular formula C17H19FN2OS and a molecular weight of 318.42 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]methanone
PubChem CID119375812
Molecular FormulaC17H19FN2OS
Molecular Weight318.42 g/mol
Exact Mass318.12
IUPAC Name(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]methanone
SMILESCc1cc(C(=O)N2CCC(N)CC2)sc1-c1ccc(F)cc1
InChIInChI=1S/C17H19FN2OS/c1-11-10-15(17(21)20-8-6-14(19)7-9-20)22-16(11)12-2-4-13(18)5-3-12/h2-5,10,14H,6-9,19H2,1H3
InChIKeyXYDSDVXNLGGTBR-UHFFFAOYSA-N
XLogP3.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-aminopyrrolidin-1-yl]-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]methanone;hydrochloride
CID 119934470
[5-(4-fluorophenyl)-4-methylthiophen-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561560
[4-(ethylaminomethyl)piperidin-1-yl]-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]methanone
CID 119647261
[4-(3-aminopropoxy)piperidin-1-yl]-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]methanone
CID 119663842
(2R)-4-[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]morpholine-2-carboxamide
CID 95697173
N-(4-aminocyclohexyl)-5-(4-fluorophenyl)-4-methylthiophene-2-carboxamide
CID 119477809
[5-(4-fluorophenyl)-4-methylthiophen-2-yl]-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 167866377
N-(2-aminoethyl)-1-[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119481536
(4-aminopiperidin-1-yl)-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone
CID 119373691
(4,5-dimethylthiophen-2-yl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 111109363
1-[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]piperidine-4-carboxylic acid
CID 119349477
(3S,6R)-6-amino-1-(4-methyl-5-phenylthiophene-2-carbonyl)azepane-3-carboxylic acid;hydrochloride
CID 171711553

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]methanone (CID 119375812) is (4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]methanone is Cc1cc(C(=O)N2CCC(N)CC2)sc1-c1ccc(F)cc1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]methanone?
The InChIKey is XYDSDVXNLGGTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2OS/c1-11-10-15(17(21)20-8-6-14(19)7-9-20)22-16(11)12-2-4-13(18)5-3-12/h2-5,10,14H,6-9,19H2,1H3.
What are the key properties of (4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]methanone?
(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]methanone has a molecular weight of 318.42 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]methanone is sourced from PubChem (CID 119375812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).