[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone

C19H24FN3OS — CID 42606103

IUPAC[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccc(CNCC2(F)CCN(C(=O)c3sccc3C)CC2)nc1
InChIInChI=1S/C19H24FN3OS/c1-14-3-4-16(22-11-14)12-21-13-19(20)6-8-23(9-7-19)18(24)17-15(2)5-10-25-17/h3-5,10-11,21H,6-9,12-13H2,1-2H3
InChIKeyHRRFFOWQQLRRFW-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.49
Rot. Bonds5

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

[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 42606103) has the molecular formula C19H24FN3OS and a molecular weight of 361.49 g/mol. Its IUPAC name is [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID42606103
Molecular FormulaC19H24FN3OS
Molecular Weight361.49 g/mol
Exact Mass361.16
IUPAC Name[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccc(CNCC2(F)CCN(C(=O)c3sccc3C)CC2)nc1
InChIInChI=1S/C19H24FN3OS/c1-14-3-4-16(22-11-14)12-21-13-19(20)6-8-23(9-7-19)18(24)17-15(2)5-10-25-17/h3-5,10-11,21H,6-9,12-13H2,1-2H3
InChIKeyHRRFFOWQQLRRFW-UHFFFAOYSA-N
XLogP3.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone (CID 42606103) is [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone is Cc1ccc(CNCC2(F)CCN(C(=O)c3sccc3C)CC2)nc1.
What is the InChIKey of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is HRRFFOWQQLRRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3OS/c1-14-3-4-16(22-11-14)12-21-13-19(20)6-8-23(9-7-19)18(24)17-15(2)5-10-25-17/h3-5,10-11,21H,6-9,12-13H2,1-2H3.
What are the key properties of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 361.49 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 42606103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).