4-(4-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carboxamide

C19H23N3O2 — CID 6460818

IUPAC4-(4-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)Nc3ccccc3C)CC2)cc1
InChIInChI=1S/C19H23N3O2/c1-15-5-3-4-6-18(15)20-19(23)22-13-11-21(12-14-22)16-7-9-17(24-2)10-8-16/h3-10H,11-14H2,1-2H3,(H,20,23)
InChIKeyMDZLIUSYWRUMLA-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.36
Rot. Bonds3

About 4-(4-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carboxamide

4-(4-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carboxamide (PubChem CID 6460818) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carboxamide
PubChem CID6460818
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-(4-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)Nc3ccccc3C)CC2)cc1
InChIInChI=1S/C19H23N3O2/c1-15-5-3-4-6-18(15)20-19(23)22-13-11-21(12-14-22)16-7-9-17(24-2)10-8-16/h3-10H,11-14H2,1-2H3,(H,20,23)
InChIKeyMDZLIUSYWRUMLA-UHFFFAOYSA-N
XLogP3.36
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111145
4-(4-methoxyphenyl)-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 3742709
N-(4-methoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 30938006
N-(2,5-difluorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 3258791
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N'-(2-methylphenyl)oxamide
CID 42390414
methyl 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113111137
4-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 3688554
N-(2-methylphenyl)azepane-1-carboxamide
CID 19165583
methyl 4-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113631
4-(3-chloro-4-methylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113113244
4-(4-methoxyphenyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 108988796
4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide
CID 55376450

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carboxamide (CID 6460818) is 4-(4-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carboxamide is COc1ccc(N2CCN(C(=O)Nc3ccccc3C)CC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carboxamide?
The InChIKey is MDZLIUSYWRUMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-15-5-3-4-6-18(15)20-19(23)22-13-11-21(12-14-22)16-7-9-17(24-2)10-8-16/h3-10H,11-14H2,1-2H3,(H,20,23).
What are the key properties of 4-(4-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carboxamide?
4-(4-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 6460818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).