4-(4-methoxyphenyl)-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide

C15H22N4O3 — CID 3066939

IUPAC4-(4-methoxyphenyl)-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide
SMILESCNC(=O)N(C)C(=O)N1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C15H22N4O3/c1-16-14(20)17(2)15(21)19-10-8-18(9-11-19)12-4-6-13(22-3)7-5-12/h4-7H,8-11H2,1-3H3,(H,16,20)
InChIKeyVTGAOGDMYAZOCU-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.21
Rot. Bonds2

About 4-(4-methoxyphenyl)-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide

4-(4-methoxyphenyl)-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide (PubChem CID 3066939) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide
PubChem CID3066939
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name4-(4-methoxyphenyl)-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide
SMILESCNC(=O)N(C)C(=O)N1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C15H22N4O3/c1-16-14(20)17(2)15(21)19-10-8-18(9-11-19)12-4-6-13(22-3)7-5-12/h4-7H,8-11H2,1-3H3,(H,16,20)
InChIKeyVTGAOGDMYAZOCU-UHFFFAOYSA-N
XLogP1.21
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4-(4-methoxyphenyl)-N-methyl-N-(methylcarbamoyl)piperazine-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

1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 24702790
2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60637810
N,N-diethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 2197299
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide
CID 108986682
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(propylamino)ethanone
CID 60648289
[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
CID 18159287
2-chloro-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 43810420
2-cyclopropyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 110416964
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043150
3-(dipropylamino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109033107
methyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate
CID 112985812
N'-hydroxy-4-(4-methoxyphenyl)piperazine-1-carboximidamide
CID 55080376

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide (CID 3066939) is 4-(4-methoxyphenyl)-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide is CNC(=O)N(C)C(=O)N1CCN(c2ccc(OC)cc2)CC1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide?
The InChIKey is VTGAOGDMYAZOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-16-14(20)17(2)15(21)19-10-8-18(9-11-19)12-4-6-13(22-3)7-5-12/h4-7H,8-11H2,1-3H3,(H,16,20).
What are the key properties of 4-(4-methoxyphenyl)-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide?
4-(4-methoxyphenyl)-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide is sourced from PubChem (CID 3066939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).