N-(3-imidazol-1-ylpropyl)-3-methylmorpholine-4-carboxamide

C12H20N4O2 — CID 71894161

IUPACN-(3-imidazol-1-ylpropyl)-3-methylmorpholine-4-carboxamide
SMILESCC1COCCN1C(=O)NCCCn1ccnc1
InChIInChI=1S/C12H20N4O2/c1-11-9-18-8-7-16(11)12(17)14-3-2-5-15-6-4-13-10-15/h4,6,10-11H,2-3,5,7-9H2,1H3,(H,14,17)
InChIKeyARISGFCYBDIBCF-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.70
Rot. Bonds4

About N-(3-imidazol-1-ylpropyl)-3-methylmorpholine-4-carboxamide

N-(3-imidazol-1-ylpropyl)-3-methylmorpholine-4-carboxamide (PubChem CID 71894161) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-3-methylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-3-methylmorpholine-4-carboxamide
PubChem CID71894161
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-(3-imidazol-1-ylpropyl)-3-methylmorpholine-4-carboxamide
SMILESCC1COCCN1C(=O)NCCCn1ccnc1
InChIInChI=1S/C12H20N4O2/c1-11-9-18-8-7-16(11)12(17)14-3-2-5-15-6-4-13-10-15/h4,6,10-11H,2-3,5,7-9H2,1H3,(H,14,17)
InChIKeyARISGFCYBDIBCF-UHFFFAOYSA-N
XLogP0.70
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-imidazol-1-ylpropyl)-3-methylmorpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1H-imidazole-1-carbonyl)morpholine
CID 5230546
2,2-dimethylpropyl N-(3-imidazol-1-ylpropyl)carbamate
CID 127044791
3-methyl-1-(morpholine-4-carbonyl)-1H-imidazol-3-ium iodide
CID 11220989
4-acetyl-N-(1-imidazol-1-ylpropan-2-yl)piperazine-1-carboxamide
CID 47253569
N-(1-imidazol-1-ylpropan-2-yl)-4-(2-methoxyethyl)-1,4-diazepane-1-carboxamide
CID 53504539
4-acetyl-N-(1-imidazol-1-ylpropan-2-yl)-1,4-diazepane-1-carboxamide
CID 53515125
2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-N-(oxan-4-yl)acetamide
CID 53561047
2-[3-Methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 53570699
2-[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-(oxan-4-yl)acetamide
CID 53571257
N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 71868060
3-ethyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]morpholine-4-carboxamide
CID 71868069
N-(3-imidazol-1-ylpropyl)-2,4-dimethylpiperazine-1-carboxamide
CID 71877025

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-3-methylmorpholine-4-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-3-methylmorpholine-4-carboxamide (CID 71894161) is N-(3-imidazol-1-ylpropyl)-3-methylmorpholine-4-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-3-methylmorpholine-4-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-3-methylmorpholine-4-carboxamide is CC1COCCN1C(=O)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-3-methylmorpholine-4-carboxamide?
The InChIKey is ARISGFCYBDIBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-11-9-18-8-7-16(11)12(17)14-3-2-5-15-6-4-13-10-15/h4,6,10-11H,2-3,5,7-9H2,1H3,(H,14,17).
What are the key properties of N-(3-imidazol-1-ylpropyl)-3-methylmorpholine-4-carboxamide?
N-(3-imidazol-1-ylpropyl)-3-methylmorpholine-4-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-3-methylmorpholine-4-carboxamide is sourced from PubChem (CID 71894161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).