4-benzyl-5-oxo-N-(1-pyrazol-1-ylpropan-2-yl)morpholine-3-carboxamide

C18H22N4O3 — CID 71877725

IUPAC4-benzyl-5-oxo-N-(1-pyrazol-1-ylpropan-2-yl)morpholine-3-carboxamide
SMILESCC(Cn1cccn1)NC(=O)C1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H22N4O3/c1-14(10-21-9-5-8-19-21)20-18(24)16-12-25-13-17(23)22(16)11-15-6-3-2-4-7-15/h2-9,14,16H,10-13H2,1H3,(H,20,24)
InChIKeyMYUPCXZNFGNIRP-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.82
Rot. Bonds6

About 4-benzyl-5-oxo-N-(1-pyrazol-1-ylpropan-2-yl)morpholine-3-carboxamide

4-benzyl-5-oxo-N-(1-pyrazol-1-ylpropan-2-yl)morpholine-3-carboxamide (PubChem CID 71877725) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-benzyl-5-oxo-N-(1-pyrazol-1-ylpropan-2-yl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-benzyl-5-oxo-N-(1-pyrazol-1-ylpropan-2-yl)morpholine-3-carboxamide
PubChem CID71877725
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name4-benzyl-5-oxo-N-(1-pyrazol-1-ylpropan-2-yl)morpholine-3-carboxamide
SMILESCC(Cn1cccn1)NC(=O)C1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H22N4O3/c1-14(10-21-9-5-8-19-21)20-18(24)16-12-25-13-17(23)22(16)11-15-6-3-2-4-7-15/h2-9,14,16H,10-13H2,1H3,(H,20,24)
InChIKeyMYUPCXZNFGNIRP-UHFFFAOYSA-N
XLogP0.82
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-benzyl-5-oxo-N-(1-pyrazol-1-ylpropan-2-yl)morpholine-3-carboxamide 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 4-benzyl-5-oxo-N-(1-pyrazol-1-ylpropan-2-yl)morpholine-3-carboxamide?
The IUPAC name of 4-benzyl-5-oxo-N-(1-pyrazol-1-ylpropan-2-yl)morpholine-3-carboxamide (CID 71877725) is 4-benzyl-5-oxo-N-(1-pyrazol-1-ylpropan-2-yl)morpholine-3-carboxamide.
What is the SMILES notation for 4-benzyl-5-oxo-N-(1-pyrazol-1-ylpropan-2-yl)morpholine-3-carboxamide?
The canonical SMILES for 4-benzyl-5-oxo-N-(1-pyrazol-1-ylpropan-2-yl)morpholine-3-carboxamide is CC(Cn1cccn1)NC(=O)C1COCC(=O)N1Cc1ccccc1.
What is the InChIKey of 4-benzyl-5-oxo-N-(1-pyrazol-1-ylpropan-2-yl)morpholine-3-carboxamide?
The InChIKey is MYUPCXZNFGNIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-14(10-21-9-5-8-19-21)20-18(24)16-12-25-13-17(23)22(16)11-15-6-3-2-4-7-15/h2-9,14,16H,10-13H2,1H3,(H,20,24).
What are the key properties of 4-benzyl-5-oxo-N-(1-pyrazol-1-ylpropan-2-yl)morpholine-3-carboxamide?
4-benzyl-5-oxo-N-(1-pyrazol-1-ylpropan-2-yl)morpholine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-oxo-N-(1-pyrazol-1-ylpropan-2-yl)morpholine-3-carboxamide is sourced from PubChem (CID 71877725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).