N-(4-methoxy-3,5-dimethylphenyl)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide

C19H29N3O3 — CID 72862130

IUPACN-(4-methoxy-3,5-dimethylphenyl)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
SMILESCOc1c(C)cc(NC(=O)N2CCN(CC(C)C)C(=O)C2C)cc1C
InChIInChI=1S/C19H29N3O3/c1-12(2)11-21-7-8-22(15(5)18(21)23)19(24)20-16-9-13(3)17(25-6)14(4)10-16/h9-10,12,15H,7-8,11H2,1-6H3,(H,20,24)
InChIKeyUQAQWOJKYWIFRH-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.03
Rot. Bonds4

About N-(4-methoxy-3,5-dimethylphenyl)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide

N-(4-methoxy-3,5-dimethylphenyl)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide (PubChem CID 72862130) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-(4-methoxy-3,5-dimethylphenyl)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-3,5-dimethylphenyl)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
PubChem CID72862130
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-(4-methoxy-3,5-dimethylphenyl)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
SMILESCOc1c(C)cc(NC(=O)N2CCN(CC(C)C)C(=O)C2C)cc1C
InChIInChI=1S/C19H29N3O3/c1-12(2)11-21-7-8-22(15(5)18(21)23)19(24)20-16-9-13(3)17(25-6)14(4)10-16/h9-10,12,15H,7-8,11H2,1-6H3,(H,20,24)
InChIKeyUQAQWOJKYWIFRH-UHFFFAOYSA-N
XLogP3.03
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3,5-dimethylphenyl)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-(4-methoxy-3,5-dimethylphenyl)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide (CID 72862130) is N-(4-methoxy-3,5-dimethylphenyl)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-(4-methoxy-3,5-dimethylphenyl)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-(4-methoxy-3,5-dimethylphenyl)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide is COc1c(C)cc(NC(=O)N2CCN(CC(C)C)C(=O)C2C)cc1C.
What is the InChIKey of N-(4-methoxy-3,5-dimethylphenyl)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide?
The InChIKey is UQAQWOJKYWIFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-12(2)11-21-7-8-22(15(5)18(21)23)19(24)20-16-9-13(3)17(25-6)14(4)10-16/h9-10,12,15H,7-8,11H2,1-6H3,(H,20,24).
What are the key properties of N-(4-methoxy-3,5-dimethylphenyl)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide?
N-(4-methoxy-3,5-dimethylphenyl)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3,5-dimethylphenyl)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 72862130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).