1-[4-fluoro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-methylpropan-1-one

C14H21FN2OS — CID 58293897

IUPAC1-[4-fluoro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-methylpropan-1-one
SMILESCc1ncc(CN2CCC(F)(C(=O)C(C)C)CC2)s1
InChIInChI=1S/C14H21FN2OS/c1-10(2)13(18)14(15)4-6-17(7-5-14)9-12-8-16-11(3)19-12/h8,10H,4-7,9H2,1-3H3
InChIKeyWKDGVTZEVLQIKB-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.98
Rot. Bonds4

About 1-[4-fluoro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-methylpropan-1-one

1-[4-fluoro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-methylpropan-1-one (PubChem CID 58293897) has the molecular formula C14H21FN2OS and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[4-fluoro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-fluoro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-methylpropan-1-one
PubChem CID58293897
Molecular FormulaC14H21FN2OS
Molecular Weight284.40 g/mol
Exact Mass284.14
IUPAC Name1-[4-fluoro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-methylpropan-1-one
SMILESCc1ncc(CN2CCC(F)(C(=O)C(C)C)CC2)s1
InChIInChI=1S/C14H21FN2OS/c1-10(2)13(18)14(15)4-6-17(7-5-14)9-12-8-16-11(3)19-12/h8,10H,4-7,9H2,1-3H3
InChIKeyWKDGVTZEVLQIKB-UHFFFAOYSA-N
XLogP2.98
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-fluoro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-methylpropan-1-one 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 1-[4-fluoro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-fluoro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-methylpropan-1-one (CID 58293897) is 1-[4-fluoro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-fluoro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-fluoro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-methylpropan-1-one is Cc1ncc(CN2CCC(F)(C(=O)C(C)C)CC2)s1.
What is the InChIKey of 1-[4-fluoro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-methylpropan-1-one?
The InChIKey is WKDGVTZEVLQIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2OS/c1-10(2)13(18)14(15)4-6-17(7-5-14)9-12-8-16-11(3)19-12/h8,10H,4-7,9H2,1-3H3.
What are the key properties of 1-[4-fluoro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-methylpropan-1-one?
1-[4-fluoro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-methylpropan-1-one has a molecular weight of 284.40 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-methylpropan-1-one is sourced from PubChem (CID 58293897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).