[3-(morpholine-4-carbonylamino)phenyl] piperidine-1-carboxylate

C17H23N3O4 — CID 831789

IUPAC[3-(morpholine-4-carbonylamino)phenyl] piperidine-1-carboxylate
SMILESO=C(Nc1cccc(OC(=O)N2CCCCC2)c1)N1CCOCC1
InChIInChI=1S/C17H23N3O4/c21-16(19-9-11-23-12-10-19)18-14-5-4-6-15(13-14)24-17(22)20-7-2-1-3-8-20/h4-6,13H,1-3,7-12H2,(H,18,21)
InChIKeySEAZLOUOXWDNKZ-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.54
Rot. Bonds2

About [3-(morpholine-4-carbonylamino)phenyl] piperidine-1-carboxylate

[3-(morpholine-4-carbonylamino)phenyl] piperidine-1-carboxylate (PubChem CID 831789) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is [3-(morpholine-4-carbonylamino)phenyl] piperidine-1-carboxylate.

Molecular Properties

Compound Name[3-(morpholine-4-carbonylamino)phenyl] piperidine-1-carboxylate
PubChem CID831789
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name[3-(morpholine-4-carbonylamino)phenyl] piperidine-1-carboxylate
SMILESO=C(Nc1cccc(OC(=O)N2CCCCC2)c1)N1CCOCC1
InChIInChI=1S/C17H23N3O4/c21-16(19-9-11-23-12-10-19)18-14-5-4-6-15(13-14)24-17(22)20-7-2-1-3-8-20/h4-6,13H,1-3,7-12H2,(H,18,21)
InChIKeySEAZLOUOXWDNKZ-UHFFFAOYSA-N
XLogP2.54
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(morpholine-4-carbonylamino)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-(morpholine-4-carbonylamino)phenyl] piperidine-1-carboxylate?
The IUPAC name of [3-(morpholine-4-carbonylamino)phenyl] piperidine-1-carboxylate (CID 831789) is [3-(morpholine-4-carbonylamino)phenyl] piperidine-1-carboxylate.
What is the SMILES notation for [3-(morpholine-4-carbonylamino)phenyl] piperidine-1-carboxylate?
The canonical SMILES for [3-(morpholine-4-carbonylamino)phenyl] piperidine-1-carboxylate is O=C(Nc1cccc(OC(=O)N2CCCCC2)c1)N1CCOCC1.
What is the InChIKey of [3-(morpholine-4-carbonylamino)phenyl] piperidine-1-carboxylate?
The InChIKey is SEAZLOUOXWDNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c21-16(19-9-11-23-12-10-19)18-14-5-4-6-15(13-14)24-17(22)20-7-2-1-3-8-20/h4-6,13H,1-3,7-12H2,(H,18,21).
What are the key properties of [3-(morpholine-4-carbonylamino)phenyl] piperidine-1-carboxylate?
[3-(morpholine-4-carbonylamino)phenyl] piperidine-1-carboxylate has a molecular weight of 333.39 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(morpholine-4-carbonylamino)phenyl] piperidine-1-carboxylate is sourced from PubChem (CID 831789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).