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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Related Compounds

4-(2,4-dimethoxybenzoyl)-N-[2-methyl-5-(3-methylbutanoyl)phenyl]piperazine-1-carboxamide
CID 58328134
4-(2,4-dimethoxybenzoyl)-N-[5-(4-methoxybutanoyl)-2-methylphenyl]piperazine-1-carboxamide
CID 58328187
4-(2,4-dimethoxybenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide
CID 110812395
4-(2,4-dimethoxybenzoyl)-N-prop-2-ynylpiperazine-1-carboxamide
CID 51089081
ethyl 4-(2,4-dimethoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110808976
N-(2,4-dimethoxyphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113112429
[4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119944903
(2R)-2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 119300869
N-(5-carbamoyl-2-methylphenyl)-3-methoxypiperidine-1-carboxamide
CID 118788092
(3S)-N-(5-carbamoyl-2-methylphenyl)-3-methoxypiperidine-1-carboxamide
CID 124606170
(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 55183156
(2,4-dimethoxyphenyl)-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone
CID 55904204

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).