[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] N-propan-2-ylcarbamate

C19H27FN2O3 — CID 30429

IUPAC[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC1CCN(CCCC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H27FN2O3/c1-14(2)21-19(24)25-17-9-12-22(13-10-17)11-3-4-18(23)15-5-7-16(20)8-6-15/h5-8,14,17H,3-4,9-13H2,1-2H3,(H,21,24)
InChIKeyHJSFDYCHYVGVDC-UHFFFAOYSA-N
MW350.43 g/mol
LogP3.39
Rot. Bonds7

About [1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] N-propan-2-ylcarbamate

[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] N-propan-2-ylcarbamate (PubChem CID 30429) has the molecular formula C19H27FN2O3 and a molecular weight of 350.43 g/mol. Its IUPAC name is [1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] N-propan-2-ylcarbamate
PubChem CID30429
Molecular FormulaC19H27FN2O3
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC Name[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC1CCN(CCCC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H27FN2O3/c1-14(2)21-19(24)25-17-9-12-22(13-10-17)11-3-4-18(23)15-5-7-16(20)8-6-15/h5-8,14,17H,3-4,9-13H2,1-2H3,(H,21,24)
InChIKeyHJSFDYCHYVGVDC-UHFFFAOYSA-N
XLogP3.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] N-propan-2-ylcarbamate 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-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] N-propan-2-ylcarbamate?
The IUPAC name of [1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] N-propan-2-ylcarbamate (CID 30429) is [1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] N-propan-2-ylcarbamate.
What is the SMILES notation for [1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] N-propan-2-ylcarbamate?
The canonical SMILES for [1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] N-propan-2-ylcarbamate is CC(C)NC(=O)OC1CCN(CCCC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of [1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] N-propan-2-ylcarbamate?
The InChIKey is HJSFDYCHYVGVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O3/c1-14(2)21-19(24)25-17-9-12-22(13-10-17)11-3-4-18(23)15-5-7-16(20)8-6-15/h5-8,14,17H,3-4,9-13H2,1-2H3,(H,21,24).
What are the key properties of [1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] N-propan-2-ylcarbamate?
[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] N-propan-2-ylcarbamate has a molecular weight of 350.43 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] N-propan-2-ylcarbamate is sourced from PubChem (CID 30429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).