2-[2-(4-fluoro-2-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid

C19H26FNO4 — CID 69033693

IUPAC2-[2-(4-fluoro-2-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
SMILESCc1cc(F)ccc1C1CC(CC(=O)O)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H26FNO4/c1-12-9-14(20)5-6-15(12)16-10-13(11-17(22)23)7-8-21(16)18(24)25-19(2,3)4/h5-6,9,13,16H,7-8,10-11H2,1-4H3,(H,22,23)
InChIKeyMNEWTCPUQNWKOA-UHFFFAOYSA-N
MW351.42 g/mol
LogP4.30
Rot. Bonds3

About 2-[2-(4-fluoro-2-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid

2-[2-(4-fluoro-2-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid (PubChem CID 69033693) has the molecular formula C19H26FNO4 and a molecular weight of 351.42 g/mol. Its IUPAC name is 2-[2-(4-fluoro-2-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-fluoro-2-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
PubChem CID69033693
Molecular FormulaC19H26FNO4
Molecular Weight351.42 g/mol
Exact Mass351.18
IUPAC Name2-[2-(4-fluoro-2-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
SMILESCc1cc(F)ccc1C1CC(CC(=O)O)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H26FNO4/c1-12-9-14(20)5-6-15(12)16-10-13(11-17(22)23)7-8-21(16)18(24)25-19(2,3)4/h5-6,9,13,16H,7-8,10-11H2,1-4H3,(H,22,23)
InChIKeyMNEWTCPUQNWKOA-UHFFFAOYSA-N
XLogP4.30
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(4-fluoro-2-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid 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 2-[2-(4-fluoro-2-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[2-(4-fluoro-2-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid (CID 69033693) is 2-[2-(4-fluoro-2-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-fluoro-2-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[2-(4-fluoro-2-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid is Cc1cc(F)ccc1C1CC(CC(=O)O)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of 2-[2-(4-fluoro-2-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid?
The InChIKey is MNEWTCPUQNWKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO4/c1-12-9-14(20)5-6-15(12)16-10-13(11-17(22)23)7-8-21(16)18(24)25-19(2,3)4/h5-6,9,13,16H,7-8,10-11H2,1-4H3,(H,22,23).
What are the key properties of 2-[2-(4-fluoro-2-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid?
2-[2-(4-fluoro-2-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid has a molecular weight of 351.42 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoro-2-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 69033693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).