4-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide

C21H27N3O4 — CID 108866738

IUPAC4-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCN(c3cccc(C)c3)CC2)cc(OC)c1OC
InChIInChI=1S/C21H27N3O4/c1-15-6-5-7-17(12-15)23-8-10-24(11-9-23)21(25)22-16-13-18(26-2)20(28-4)19(14-16)27-3/h5-7,12-14H,8-11H2,1-4H3,(H,22,25)
InChIKeyBKFCAWUTQRZVMV-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.37
Rot. Bonds5

About 4-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide

4-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide (PubChem CID 108866738) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 4-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
PubChem CID108866738
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name4-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCN(c3cccc(C)c3)CC2)cc(OC)c1OC
InChIInChI=1S/C21H27N3O4/c1-15-6-5-7-17(12-15)23-8-10-24(11-9-23)21(25)22-16-13-18(26-2)20(28-4)19(14-16)27-3/h5-7,12-14H,8-11H2,1-4H3,(H,22,25)
InChIKeyBKFCAWUTQRZVMV-UHFFFAOYSA-N
XLogP3.37
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methoxyphenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 16645833
N-(3-bromophenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 23991152
N-[(2S)-1-oxo-1-(3,4,5-trimethoxyanilino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 71829736
4-(3-methylphenyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 56505268
N-(3,4,5-trimethoxyphenyl)azepane-1-carboxamide
CID 3051874
4-(3-chlorophenyl)-N-(2-methoxy-4-methylphenyl)piperazine-1-carboxamide
CID 60562585
4-(2-cyanophenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 3821127
N-(3-methoxy-6,7-dimethylquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 69244859
4-[(4-methylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 113107087
4-(3-methylphenyl)piperazine-1-carbohydrazide
CID 43163880
2-(3,4-dimethoxyanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 109004058
N-(2,3-dimethylquinoxalin-6-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 108885668

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide (CID 108866738) is 4-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide is COc1cc(NC(=O)N2CCN(c3cccc(C)c3)CC2)cc(OC)c1OC.
What is the InChIKey of 4-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is BKFCAWUTQRZVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-15-6-5-7-17(12-15)23-8-10-24(11-9-23)21(25)22-16-13-18(26-2)20(28-4)19(14-16)27-3/h5-7,12-14H,8-11H2,1-4H3,(H,22,25).
What are the key properties of 4-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide?
4-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 108866738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).