[3-(piperidine-1-carbonyloxy)phenyl] piperidine-1-carboxylate

C18H24N2O4 — CID 3151555

IUPAC[3-(piperidine-1-carbonyloxy)phenyl] piperidine-1-carboxylate
SMILESO=C(Oc1cccc(OC(=O)N2CCCCC2)c1)N1CCCCC1
InChIInChI=1S/C18H24N2O4/c21-17(19-10-3-1-4-11-19)23-15-8-7-9-16(14-15)24-18(22)20-12-5-2-6-13-20/h7-9,14H,1-6,10-13H2
InChIKeyKEOSPDWMOHMXEW-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.66
Rot. Bonds2

About [3-(piperidine-1-carbonyloxy)phenyl] piperidine-1-carboxylate

[3-(piperidine-1-carbonyloxy)phenyl] piperidine-1-carboxylate (PubChem CID 3151555) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is [3-(piperidine-1-carbonyloxy)phenyl] piperidine-1-carboxylate.

Molecular Properties

Compound Name[3-(piperidine-1-carbonyloxy)phenyl] piperidine-1-carboxylate
PubChem CID3151555
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name[3-(piperidine-1-carbonyloxy)phenyl] piperidine-1-carboxylate
SMILESO=C(Oc1cccc(OC(=O)N2CCCCC2)c1)N1CCCCC1
InChIInChI=1S/C18H24N2O4/c21-17(19-10-3-1-4-11-19)23-15-8-7-9-16(14-15)24-18(22)20-12-5-2-6-13-20/h7-9,14H,1-6,10-13H2
InChIKeyKEOSPDWMOHMXEW-UHFFFAOYSA-N
XLogP3.66
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(piperidine-1-carbonyloxy)phenyl] piperidine-1-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 [3-(piperidine-1-carbonyloxy)phenyl] piperidine-1-carboxylate?
The IUPAC name of [3-(piperidine-1-carbonyloxy)phenyl] piperidine-1-carboxylate (CID 3151555) is [3-(piperidine-1-carbonyloxy)phenyl] piperidine-1-carboxylate.
What is the SMILES notation for [3-(piperidine-1-carbonyloxy)phenyl] piperidine-1-carboxylate?
The canonical SMILES for [3-(piperidine-1-carbonyloxy)phenyl] piperidine-1-carboxylate is O=C(Oc1cccc(OC(=O)N2CCCCC2)c1)N1CCCCC1.
What is the InChIKey of [3-(piperidine-1-carbonyloxy)phenyl] piperidine-1-carboxylate?
The InChIKey is KEOSPDWMOHMXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c21-17(19-10-3-1-4-11-19)23-15-8-7-9-16(14-15)24-18(22)20-12-5-2-6-13-20/h7-9,14H,1-6,10-13H2.
What are the key properties of [3-(piperidine-1-carbonyloxy)phenyl] piperidine-1-carboxylate?
[3-(piperidine-1-carbonyloxy)phenyl] piperidine-1-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(piperidine-1-carbonyloxy)phenyl] piperidine-1-carboxylate is sourced from PubChem (CID 3151555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).