4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide

C20H25N3O2 — CID 3299740

IUPAC4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)NCc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C20H25N3O2/c1-16-3-5-17(6-4-16)15-21-20(24)23-13-11-22(12-14-23)18-7-9-19(25-2)10-8-18/h3-10H,11-15H2,1-2H3,(H,21,24)
InChIKeyZXTIGEXVFDAIFR-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.04
Rot. Bonds4

About 4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide

4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide (PubChem CID 3299740) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
PubChem CID3299740
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)NCc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C20H25N3O2/c1-16-3-5-17(6-4-16)15-21-20(24)23-13-11-22(12-14-23)18-7-9-19(25-2)10-8-18/h3-10H,11-15H2,1-2H3,(H,21,24)
InChIKeyZXTIGEXVFDAIFR-UHFFFAOYSA-N
XLogP3.04
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]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-Piperidinecarboxamide, N-(4-methoxyphenyl)-
CID 200753
N-Benzyl-4-methoxyaniline
CID 519413
1-Cyclohexyl-3-(4-methoxy-phenyl)-urea
CID 3397178
Para-methoxybutyryl fentanyl
CID 118796493
Ucm 765
CID 24749950
N-[(4-methoxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 9155553
1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-3-(4-methoxy-phenyl)-urea
CID 11363006
(5-Dimethylamino-2-methoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine
CID 22879211
N-[2-(N-benzyl-3-methoxyanilino)ethyl]acetamide
CID 24750069
1-(4-(3-Morpholinopropoxy)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 25014776
1-(4-Phenoxyphenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783004
N-(2-methoxyphenyl)-N'-(2-phenylethyl)urea
CID 853786

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide (CID 3299740) is 4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide is COc1ccc(N2CCN(C(=O)NCc3ccc(C)cc3)CC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is ZXTIGEXVFDAIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-16-3-5-17(6-4-16)15-21-20(24)23-13-11-22(12-14-23)18-7-9-19(25-2)10-8-18/h3-10H,11-15H2,1-2H3,(H,21,24).
What are the key properties of 4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 3299740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).