1-(4-methylpiperidin-1-yl)propan-2-yl furan-2-carboxylate

C14H21NO3 — CID 3155958

IUPAC1-(4-methylpiperidin-1-yl)propan-2-yl furan-2-carboxylate
SMILESCC1CCN(CC(C)OC(=O)c2ccco2)CC1
InChIInChI=1S/C14H21NO3/c1-11-5-7-15(8-6-11)10-12(2)18-14(16)13-4-3-9-17-13/h3-4,9,11-12H,5-8,10H2,1-2H3
InChIKeyWXZYQONZXMROSU-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.56
Rot. Bonds4

About 1-(4-methylpiperidin-1-yl)propan-2-yl furan-2-carboxylate

1-(4-methylpiperidin-1-yl)propan-2-yl furan-2-carboxylate (PubChem CID 3155958) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)propan-2-yl furan-2-carboxylate.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)propan-2-yl furan-2-carboxylate
PubChem CID3155958
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-(4-methylpiperidin-1-yl)propan-2-yl furan-2-carboxylate
SMILESCC1CCN(CC(C)OC(=O)c2ccco2)CC1
InChIInChI=1S/C14H21NO3/c1-11-5-7-15(8-6-11)10-12(2)18-14(16)13-4-3-9-17-13/h3-4,9,11-12H,5-8,10H2,1-2H3
InChIKeyWXZYQONZXMROSU-UHFFFAOYSA-N
XLogP2.56
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylpiperidin-1-yl)propan-2-yl furan-2-carboxylate 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-methylpiperidin-1-yl)propan-2-yl furan-2-carboxylate?
The IUPAC name of 1-(4-methylpiperidin-1-yl)propan-2-yl furan-2-carboxylate (CID 3155958) is 1-(4-methylpiperidin-1-yl)propan-2-yl furan-2-carboxylate.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)propan-2-yl furan-2-carboxylate?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)propan-2-yl furan-2-carboxylate is CC1CCN(CC(C)OC(=O)c2ccco2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)propan-2-yl furan-2-carboxylate?
The InChIKey is WXZYQONZXMROSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11-5-7-15(8-6-11)10-12(2)18-14(16)13-4-3-9-17-13/h3-4,9,11-12H,5-8,10H2,1-2H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)propan-2-yl furan-2-carboxylate?
1-(4-methylpiperidin-1-yl)propan-2-yl furan-2-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)propan-2-yl furan-2-carboxylate is sourced from PubChem (CID 3155958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).