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

C17H23N3O4 — CID 2928916

IUPAC[4-(morpholine-4-carbonylamino)phenyl] piperidine-1-carboxylate
SMILESO=C(Nc1ccc(OC(=O)N2CCCCC2)cc1)N1CCOCC1
InChIInChI=1S/C17H23N3O4/c21-16(19-10-12-23-13-11-19)18-14-4-6-15(7-5-14)24-17(22)20-8-2-1-3-9-20/h4-7H,1-3,8-13H2,(H,18,21)
InChIKeyBNPSEBQRNZWVKO-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.54
Rot. Bonds2

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

[4-(morpholine-4-carbonylamino)phenyl] piperidine-1-carboxylate (PubChem CID 2928916) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is [4-(morpholine-4-carbonylamino)phenyl] piperidine-1-carboxylate.

Molecular Properties

Compound Name[4-(morpholine-4-carbonylamino)phenyl] piperidine-1-carboxylate
PubChem CID2928916
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name[4-(morpholine-4-carbonylamino)phenyl] piperidine-1-carboxylate
SMILESO=C(Nc1ccc(OC(=O)N2CCCCC2)cc1)N1CCOCC1
InChIInChI=1S/C17H23N3O4/c21-16(19-10-12-23-13-11-19)18-14-4-6-15(7-5-14)24-17(22)20-8-2-1-3-9-20/h4-7H,1-3,8-13H2,(H,18,21)
InChIKeyBNPSEBQRNZWVKO-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

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Frequently Asked Questions

What is the IUPAC name of [4-(morpholine-4-carbonylamino)phenyl] piperidine-1-carboxylate?
The IUPAC name of [4-(morpholine-4-carbonylamino)phenyl] piperidine-1-carboxylate (CID 2928916) is [4-(morpholine-4-carbonylamino)phenyl] piperidine-1-carboxylate.
What is the SMILES notation for [4-(morpholine-4-carbonylamino)phenyl] piperidine-1-carboxylate?
The canonical SMILES for [4-(morpholine-4-carbonylamino)phenyl] piperidine-1-carboxylate is O=C(Nc1ccc(OC(=O)N2CCCCC2)cc1)N1CCOCC1.
What is the InChIKey of [4-(morpholine-4-carbonylamino)phenyl] piperidine-1-carboxylate?
The InChIKey is BNPSEBQRNZWVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c21-16(19-10-12-23-13-11-19)18-14-4-6-15(7-5-14)24-17(22)20-8-2-1-3-9-20/h4-7H,1-3,8-13H2,(H,18,21).
What are the key properties of [4-(morpholine-4-carbonylamino)phenyl] piperidine-1-carboxylate?
[4-(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 [4-(morpholine-4-carbonylamino)phenyl] piperidine-1-carboxylate is sourced from PubChem (CID 2928916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).