4-(2-methoxy-5-methylphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide

C20H25N3O2 — CID 113111363

IUPAC4-(2-methoxy-5-methylphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(C)cc1N1CCN(C(=O)Nc2ccc(C)cc2)CC1
InChIInChI=1S/C20H25N3O2/c1-15-4-7-17(8-5-15)21-20(24)23-12-10-22(11-13-23)18-14-16(2)6-9-19(18)25-3/h4-9,14H,10-13H2,1-3H3,(H,21,24)
InChIKeyYRYUPJSCCBCDSK-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.67
Rot. Bonds3

About 4-(2-methoxy-5-methylphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide

4-(2-methoxy-5-methylphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide (PubChem CID 113111363) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-(2-methoxy-5-methylphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methoxy-5-methylphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
PubChem CID113111363
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-(2-methoxy-5-methylphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(C)cc1N1CCN(C(=O)Nc2ccc(C)cc2)CC1
InChIInChI=1S/C20H25N3O2/c1-15-4-7-17(8-5-15)21-20(24)23-12-10-22(11-13-23)18-14-16(2)6-9-19(18)25-3/h4-9,14H,10-13H2,1-3H3,(H,21,24)
InChIKeyYRYUPJSCCBCDSK-UHFFFAOYSA-N
XLogP3.67
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-tert-butylphenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113112691
4-(4-chloro-2,5-dimethoxyphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113111403
N-(3-fluorophenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113113817
N-(4-chloro-2-methylphenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113113209
4-(5-chloro-2-methoxyphenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 113112777
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
N-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 113111056
N-(3-chloro-4-fluorophenyl)-4-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
CID 113113341
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
4-(2,5-dimethylphenyl)-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111533
4-(4-chloro-2-methoxy-5-methylphenyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111710
N-(3-bromo-4-methylphenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 78874638

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-methylphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-methoxy-5-methylphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide (CID 113111363) is 4-(2-methoxy-5-methylphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methoxy-5-methylphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-methoxy-5-methylphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide is COc1ccc(C)cc1N1CCN(C(=O)Nc2ccc(C)cc2)CC1.
What is the InChIKey of 4-(2-methoxy-5-methylphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide?
The InChIKey is YRYUPJSCCBCDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-4-7-17(8-5-15)21-20(24)23-12-10-22(11-13-23)18-14-16(2)6-9-19(18)25-3/h4-9,14H,10-13H2,1-3H3,(H,21,24).
What are the key properties of 4-(2-methoxy-5-methylphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide?
4-(2-methoxy-5-methylphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-methylphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113111363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).