(3-aminothiophen-2-yl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone

C18H21FN2OS — CID 56865703

IUPAC(3-aminothiophen-2-yl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone
SMILESNc1ccsc1C(=O)N1CCCC(CCc2ccccc2F)C1
InChIInChI=1S/C18H21FN2OS/c19-15-6-2-1-5-14(15)8-7-13-4-3-10-21(12-13)18(22)17-16(20)9-11-23-17/h1-2,5-6,9,11,13H,3-4,7-8,10,12,20H2
InChIKeyNHBSUMYRPRLTER-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.95
Rot. Bonds4

About (3-aminothiophen-2-yl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone

(3-aminothiophen-2-yl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone (PubChem CID 56865703) has the molecular formula C18H21FN2OS and a molecular weight of 332.44 g/mol. Its IUPAC name is (3-aminothiophen-2-yl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminothiophen-2-yl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone
PubChem CID56865703
Molecular FormulaC18H21FN2OS
Molecular Weight332.44 g/mol
Exact Mass332.14
IUPAC Name(3-aminothiophen-2-yl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone
SMILESNc1ccsc1C(=O)N1CCCC(CCc2ccccc2F)C1
InChIInChI=1S/C18H21FN2OS/c19-15-6-2-1-5-14(15)8-7-13-4-3-10-21(12-13)18(22)17-16(20)9-11-23-17/h1-2,5-6,9,11,13H,3-4,7-8,10,12,20H2
InChIKeyNHBSUMYRPRLTER-UHFFFAOYSA-N
XLogP3.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-aminothiophen-2-yl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of (3-aminothiophen-2-yl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone (CID 56865703) is (3-aminothiophen-2-yl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-aminothiophen-2-yl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (3-aminothiophen-2-yl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone is Nc1ccsc1C(=O)N1CCCC(CCc2ccccc2F)C1.
What is the InChIKey of (3-aminothiophen-2-yl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone?
The InChIKey is NHBSUMYRPRLTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2OS/c19-15-6-2-1-5-14(15)8-7-13-4-3-10-21(12-13)18(22)17-16(20)9-11-23-17/h1-2,5-6,9,11,13H,3-4,7-8,10,12,20H2.
What are the key properties of (3-aminothiophen-2-yl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone?
(3-aminothiophen-2-yl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone has a molecular weight of 332.44 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminothiophen-2-yl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 56865703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).