4-(4-methoxyphenyl)-3-methyl-N-naphthalen-1-ylpiperazine-1-carboxamide

C23H25N3O2 — CID 5005350

IUPAC4-(4-methoxyphenyl)-3-methyl-N-naphthalen-1-ylpiperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)Nc3cccc4ccccc34)CC2C)cc1
InChIInChI=1S/C23H25N3O2/c1-17-16-25(14-15-26(17)19-10-12-20(28-2)13-11-19)23(27)24-22-9-5-7-18-6-3-4-8-21(18)22/h3-13,17H,14-16H2,1-2H3,(H,24,27)
InChIKeyPLCDCVQNKRDKDD-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.59
Rot. Bonds3

About 4-(4-methoxyphenyl)-3-methyl-N-naphthalen-1-ylpiperazine-1-carboxamide

4-(4-methoxyphenyl)-3-methyl-N-naphthalen-1-ylpiperazine-1-carboxamide (PubChem CID 5005350) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-methyl-N-naphthalen-1-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-methyl-N-naphthalen-1-ylpiperazine-1-carboxamide
PubChem CID5005350
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name4-(4-methoxyphenyl)-3-methyl-N-naphthalen-1-ylpiperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)Nc3cccc4ccccc34)CC2C)cc1
InChIInChI=1S/C23H25N3O2/c1-17-16-25(14-15-26(17)19-10-12-20(28-2)13-11-19)23(27)24-22-9-5-7-18-6-3-4-8-21(18)22/h3-13,17H,14-16H2,1-2H3,(H,24,27)
InChIKeyPLCDCVQNKRDKDD-UHFFFAOYSA-N
XLogP4.59
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.59
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

3-methyl-4-(4-methylphenyl)-N-naphthalen-1-ylpiperazine-1-carbothioamide
CID 19655324
N-(2,4-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 23987261
methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate
CID 108884718
N-(2,5-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 2957595
(3R)-N-(2,5-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 2211440
(3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 79411310
N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-methoxyphenyl)-3-methylpiperazine-1-carboxamide
CID 3830556
N-(2-chlorophenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 3814610
3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 62918134
4-(4-methoxyphenyl)-3-methyl-N-(2-phenylphenyl)piperazine-1-carbothioamide
CID 23991043
N-(7-methoxynaphthalen-1-yl)-4-methylpiperazine-1-carboxamide
CID 11011997
4-[1-(3-methoxyphenyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carbonyl]-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 3640517

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-methyl-N-naphthalen-1-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-3-methyl-N-naphthalen-1-ylpiperazine-1-carboxamide (CID 5005350) is 4-(4-methoxyphenyl)-3-methyl-N-naphthalen-1-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-methyl-N-naphthalen-1-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-3-methyl-N-naphthalen-1-ylpiperazine-1-carboxamide is COc1ccc(N2CCN(C(=O)Nc3cccc4ccccc34)CC2C)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3-methyl-N-naphthalen-1-ylpiperazine-1-carboxamide?
The InChIKey is PLCDCVQNKRDKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-17-16-25(14-15-26(17)19-10-12-20(28-2)13-11-19)23(27)24-22-9-5-7-18-6-3-4-8-21(18)22/h3-13,17H,14-16H2,1-2H3,(H,24,27).
What are the key properties of 4-(4-methoxyphenyl)-3-methyl-N-naphthalen-1-ylpiperazine-1-carboxamide?
4-(4-methoxyphenyl)-3-methyl-N-naphthalen-1-ylpiperazine-1-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-methyl-N-naphthalen-1-ylpiperazine-1-carboxamide is sourced from PubChem (CID 5005350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).