N-(2,4-dimethoxyphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide

C22H29N3O3 — CID 113112429

IUPACN-(2,4-dimethoxyphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3c(C)cc(C)cc3C)CC2)c(OC)c1
InChIInChI=1S/C22H29N3O3/c1-15-12-16(2)21(17(3)13-15)24-8-10-25(11-9-24)22(26)23-19-7-6-18(27-4)14-20(19)28-5/h6-7,12-14H,8-11H2,1-5H3,(H,23,26)
InChIKeyKHMUPQOLZQJJPE-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.98
Rot. Bonds4

About N-(2,4-dimethoxyphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide

N-(2,4-dimethoxyphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide (PubChem CID 113112429) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
PubChem CID113112429
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-(2,4-dimethoxyphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3c(C)cc(C)cc3C)CC2)c(OC)c1
InChIInChI=1S/C22H29N3O3/c1-15-12-16(2)21(17(3)13-15)24-8-10-25(11-9-24)22(26)23-19-7-6-18(27-4)14-20(19)28-5/h6-7,12-14H,8-11H2,1-5H3,(H,23,26)
InChIKeyKHMUPQOLZQJJPE-UHFFFAOYSA-N
XLogP3.98
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113114029
N-(2,4-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 23987261
N-(2,4-dimethoxyphenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 6464385
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 113114031
N-(2,4-dimethoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 53103898
4-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 3688554
N-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 71992851
methyl 4-(2,4,6-trimethylphenyl)piperazine-1-carboxylate
CID 113076313
N-[2-(4-methoxyphenoxy)ethyl]-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113110280
N-(2,4-dimethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide
CID 4692021
4-(2,5-dimethoxyphenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113113504
N-(2,4-dimethoxyphenyl)-4-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106186

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide (CID 113112429) is N-(2,4-dimethoxyphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(c3c(C)cc(C)cc3C)CC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide?
The InChIKey is KHMUPQOLZQJJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-15-12-16(2)21(17(3)13-15)24-8-10-25(11-9-24)22(26)23-19-7-6-18(27-4)14-20(19)28-5/h6-7,12-14H,8-11H2,1-5H3,(H,23,26).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide?
N-(2,4-dimethoxyphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113112429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).