4-[[2-methoxyethylcarbamoyl(methyl)amino]methyl]-N-phenylpiperidine-1-carboxamide

C18H28N4O3 — CID 75400177

IUPAC4-[[2-methoxyethylcarbamoyl(methyl)amino]methyl]-N-phenylpiperidine-1-carboxamide
SMILESCOCCNC(=O)N(C)CC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H28N4O3/c1-21(17(23)19-10-13-25-2)14-15-8-11-22(12-9-15)18(24)20-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyKFHRQOYXTWSTFE-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.22
Rot. Bonds6

About 4-[[2-methoxyethylcarbamoyl(methyl)amino]methyl]-N-phenylpiperidine-1-carboxamide

4-[[2-methoxyethylcarbamoyl(methyl)amino]methyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 75400177) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-[[2-methoxyethylcarbamoyl(methyl)amino]methyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[2-methoxyethylcarbamoyl(methyl)amino]methyl]-N-phenylpiperidine-1-carboxamide
PubChem CID75400177
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name4-[[2-methoxyethylcarbamoyl(methyl)amino]methyl]-N-phenylpiperidine-1-carboxamide
SMILESCOCCNC(=O)N(C)CC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H28N4O3/c1-21(17(23)19-10-13-25-2)14-15-8-11-22(12-9-15)18(24)20-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyKFHRQOYXTWSTFE-UHFFFAOYSA-N
XLogP2.22
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[2-methoxyethylcarbamoyl(methyl)amino]methyl]-N-phenylpiperidine-1-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-[2-(3-methoxypropanoylamino)ethyl]-N-phenylpiperidine-1-carboxamide
CID 91913194
4-[[4-(4-fluorophenyl)but-3-enoyl-methylamino]methyl]-N-phenylpiperidine-1-carboxamide
CID 91943726
4-[[[(2S)-2-(2-chlorophenoxy)butanoyl]-methylamino]methyl]-N-phenylpiperidine-1-carboxamide
CID 97251414
4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]methyl]-N-phenylpiperidine-1-carboxamide
CID 75395580
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
4-(phenoxymethyl)-N-phenylpiperidine-1-carboxamide
CID 110638783
N-methyl-N-[[1-(phenylcarbamoyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 75395584
(3R,6S)-3-N-(2-methoxyethyl)-6-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 95150630
4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-N-phenylpiperidine-1-carboxamide
CID 46381852
4-[methyl(propan-2-yl)amino]-N-phenylpiperidine-1-carboxamide
CID 3451208
3-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]benzoic acid
CID 63980183
4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 126804910

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methoxyethylcarbamoyl(methyl)amino]methyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[[2-methoxyethylcarbamoyl(methyl)amino]methyl]-N-phenylpiperidine-1-carboxamide (CID 75400177) is 4-[[2-methoxyethylcarbamoyl(methyl)amino]methyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[2-methoxyethylcarbamoyl(methyl)amino]methyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[2-methoxyethylcarbamoyl(methyl)amino]methyl]-N-phenylpiperidine-1-carboxamide is COCCNC(=O)N(C)CC1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-[[2-methoxyethylcarbamoyl(methyl)amino]methyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is KFHRQOYXTWSTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-21(17(23)19-10-13-25-2)14-15-8-11-22(12-9-15)18(24)20-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of 4-[[2-methoxyethylcarbamoyl(methyl)amino]methyl]-N-phenylpiperidine-1-carboxamide?
4-[[2-methoxyethylcarbamoyl(methyl)amino]methyl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxyethylcarbamoyl(methyl)amino]methyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 75400177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).