N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(piperidine-4-carbonyl)oxamide

C18H25N3O5 — CID 108506308

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(piperidine-4-carbonyl)oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)NC(=O)C2CCNCC2)cc1OC
InChIInChI=1S/C18H25N3O5/c1-25-14-4-3-12(11-15(14)26-2)5-10-20-17(23)18(24)21-16(22)13-6-8-19-9-7-13/h3-4,11,13,19H,5-10H2,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyJGRZOIYNIYUMLD-UHFFFAOYSA-N
MW363.41 g/mol
LogP0.00
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(piperidine-4-carbonyl)oxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(piperidine-4-carbonyl)oxamide (PubChem CID 108506308) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(piperidine-4-carbonyl)oxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(piperidine-4-carbonyl)oxamide
PubChem CID108506308
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(piperidine-4-carbonyl)oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)NC(=O)C2CCNCC2)cc1OC
InChIInChI=1S/C18H25N3O5/c1-25-14-4-3-12(11-15(14)26-2)5-10-20-17(23)18(24)21-16(22)13-6-8-19-9-7-13/h3-4,11,13,19H,5-10H2,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyJGRZOIYNIYUMLD-UHFFFAOYSA-N
XLogP0.00
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(piperidine-4-carbonyl)oxamide 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

(4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]azepane-4-carboxamide
CID 125447240
N'-cyclopentyl-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 4550942
1-acetyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 6465009
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2250640
N'-(2-acetamidoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 108506297
2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetic acid
CID 10467430
N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119263802
N-[(3,4-dimethoxyphenyl)methyl]azepane-4-carboxamide;hydrochloride
CID 154911557
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145625
N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 3901143
methyl 4-[2-(piperidine-4-carbonylamino)ethyl]benzoate
CID 119277519
N-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl iodide
CID 163923195

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(piperidine-4-carbonyl)oxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(piperidine-4-carbonyl)oxamide (CID 108506308) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(piperidine-4-carbonyl)oxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(piperidine-4-carbonyl)oxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(piperidine-4-carbonyl)oxamide is COc1ccc(CCNC(=O)C(=O)NC(=O)C2CCNCC2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(piperidine-4-carbonyl)oxamide?
The InChIKey is JGRZOIYNIYUMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-25-14-4-3-12(11-15(14)26-2)5-10-20-17(23)18(24)21-16(22)13-6-8-19-9-7-13/h3-4,11,13,19H,5-10H2,1-2H3,(H,20,23)(H,21,22,24).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(piperidine-4-carbonyl)oxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(piperidine-4-carbonyl)oxamide has a molecular weight of 363.41 g/mol, XLogP of 0.00, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(piperidine-4-carbonyl)oxamide is sourced from PubChem (CID 108506308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).