N-(2,6-dimethylphenyl)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]acetamide

C23H29N3O3 — CID 9021581

IUPACN-(2,6-dimethylphenyl)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]acetamide
SMILESCOCc1ccc(C(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1
InChIInChI=1S/C23H29N3O3/c1-17-5-4-6-18(2)22(17)24-21(27)15-25-11-13-26(14-12-25)23(28)20-9-7-19(8-10-20)16-29-3/h4-10H,11-16H2,1-3H3,(H,24,27)
InChIKeyJGVHMQUXRBEKAP-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.85
Rot. Bonds6

About N-(2,6-dimethylphenyl)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]acetamide

N-(2,6-dimethylphenyl)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]acetamide (PubChem CID 9021581) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]acetamide
PubChem CID9021581
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-(2,6-dimethylphenyl)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]acetamide
SMILESCOCc1ccc(C(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1
InChIInChI=1S/C23H29N3O3/c1-17-5-4-6-18(2)22(17)24-21(27)15-25-11-13-26(14-12-25)23(28)20-9-7-19(8-10-20)16-29-3/h4-10H,11-16H2,1-3H3,(H,24,27)
InChIKeyJGVHMQUXRBEKAP-UHFFFAOYSA-N
XLogP2.85
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]benzamide
CID 27850994
N-(2,6-dimethylphenyl)-2-[4-[4-(2-methylpropoxy)benzoyl]piperazin-1-yl]acetamide
CID 9021597
N-[4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]benzamide
CID 134006916
N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]acetamide
CID 17498739
3-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]benzamide
CID 46569274
N-(2,6-dimethylphenyl)-2-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]acetamide
CID 27850735
2-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 27850854
N-(2,6-dimethylphenyl)-2-[4-(3-methoxy-4-prop-2-enoxybenzoyl)piperazin-1-yl]acetamide
CID 24547645
methyl 6-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]pyridine-2-carboxylate
CID 46492227
N-(2,3-dimethylphenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 27859906
2-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 9021429
ethyl 4-[4-(methoxymethyl)benzoyl]piperazine-1-carboxylate
CID 9173331

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]acetamide (CID 9021581) is N-(2,6-dimethylphenyl)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]acetamide is COCc1ccc(C(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]acetamide?
The InChIKey is JGVHMQUXRBEKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-17-5-4-6-18(2)22(17)24-21(27)15-25-11-13-26(14-12-25)23(28)20-9-7-19(8-10-20)16-29-3/h4-10H,11-16H2,1-3H3,(H,24,27).
What are the key properties of N-(2,6-dimethylphenyl)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]acetamide has a molecular weight of 395.50 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9021581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).