N-(5-carbamoyl-2-methylphenyl)-4-(2,4-dimethoxybenzoyl)piperazine-1-carboxamide

C22H26N4O5 — CID 58328128

IUPACN-(5-carbamoyl-2-methylphenyl)-4-(2,4-dimethoxybenzoyl)piperazine-1-carboxamide
SMILESCOc1ccc(C(=O)N2CCN(C(=O)Nc3cc(C(N)=O)ccc3C)CC2)c(OC)c1
InChIInChI=1S/C22H26N4O5/c1-14-4-5-15(20(23)27)12-18(14)24-22(29)26-10-8-25(9-11-26)21(28)17-7-6-16(30-2)13-19(17)31-3/h4-7,12-13H,8-11H2,1-3H3,(H2,23,27)(H,24,29)
InChIKeyBPTFBZZUABTRNH-UHFFFAOYSA-N
MW426.47 g/mol
LogP2.10
Rot. Bonds5

About N-(5-carbamoyl-2-methylphenyl)-4-(2,4-dimethoxybenzoyl)piperazine-1-carboxamide

N-(5-carbamoyl-2-methylphenyl)-4-(2,4-dimethoxybenzoyl)piperazine-1-carboxamide (PubChem CID 58328128) has the molecular formula C22H26N4O5 and a molecular weight of 426.47 g/mol. Its IUPAC name is N-(5-carbamoyl-2-methylphenyl)-4-(2,4-dimethoxybenzoyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-methylphenyl)-4-(2,4-dimethoxybenzoyl)piperazine-1-carboxamide
PubChem CID58328128
Molecular FormulaC22H26N4O5
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC NameN-(5-carbamoyl-2-methylphenyl)-4-(2,4-dimethoxybenzoyl)piperazine-1-carboxamide
SMILESCOc1ccc(C(=O)N2CCN(C(=O)Nc3cc(C(N)=O)ccc3C)CC2)c(OC)c1
InChIInChI=1S/C22H26N4O5/c1-14-4-5-15(20(23)27)12-18(14)24-22(29)26-10-8-25(9-11-26)21(28)17-7-6-16(30-2)13-19(17)31-3/h4-7,12-13H,8-11H2,1-3H3,(H2,23,27)(H,24,29)
InChIKeyBPTFBZZUABTRNH-UHFFFAOYSA-N
XLogP2.10
TPSA114.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-methylphenyl)-4-(2,4-dimethoxybenzoyl)piperazine-1-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-methylphenyl)-4-(2,4-dimethoxybenzoyl)piperazine-1-carboxamide (CID 58328128) is N-(5-carbamoyl-2-methylphenyl)-4-(2,4-dimethoxybenzoyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-methylphenyl)-4-(2,4-dimethoxybenzoyl)piperazine-1-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-methylphenyl)-4-(2,4-dimethoxybenzoyl)piperazine-1-carboxamide is COc1ccc(C(=O)N2CCN(C(=O)Nc3cc(C(N)=O)ccc3C)CC2)c(OC)c1.
What is the InChIKey of N-(5-carbamoyl-2-methylphenyl)-4-(2,4-dimethoxybenzoyl)piperazine-1-carboxamide?
The InChIKey is BPTFBZZUABTRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5/c1-14-4-5-15(20(23)27)12-18(14)24-22(29)26-10-8-25(9-11-26)21(28)17-7-6-16(30-2)13-19(17)31-3/h4-7,12-13H,8-11H2,1-3H3,(H2,23,27)(H,24,29).
What are the key properties of N-(5-carbamoyl-2-methylphenyl)-4-(2,4-dimethoxybenzoyl)piperazine-1-carboxamide?
N-(5-carbamoyl-2-methylphenyl)-4-(2,4-dimethoxybenzoyl)piperazine-1-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-methylphenyl)-4-(2,4-dimethoxybenzoyl)piperazine-1-carboxamide is sourced from PubChem (CID 58328128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).