methyl 4-(2,6-dimethoxybenzoyl)piperazine-1-carboxylate

C15H20N2O5 — CID 110818263

IUPACmethyl 4-(2,6-dimethoxybenzoyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)c2c(OC)cccc2OC)CC1
InChIInChI=1S/C15H20N2O5/c1-20-11-5-4-6-12(21-2)13(11)14(18)16-7-9-17(10-8-16)15(19)22-3/h4-6H,7-10H2,1-3H3
InChIKeyWFIHJGUAACVNPO-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.23
Rot. Bonds3

About methyl 4-(2,6-dimethoxybenzoyl)piperazine-1-carboxylate

methyl 4-(2,6-dimethoxybenzoyl)piperazine-1-carboxylate (PubChem CID 110818263) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is methyl 4-(2,6-dimethoxybenzoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2,6-dimethoxybenzoyl)piperazine-1-carboxylate
PubChem CID110818263
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Namemethyl 4-(2,6-dimethoxybenzoyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)c2c(OC)cccc2OC)CC1
InChIInChI=1S/C15H20N2O5/c1-20-11-5-4-6-12(21-2)13(11)14(18)16-7-9-17(10-8-16)15(19)22-3/h4-6H,7-10H2,1-3H3
InChIKeyWFIHJGUAACVNPO-UHFFFAOYSA-N
XLogP1.23
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(2,6-dichlorobenzoyl)-1,4-diazepane-1-carboxylate
CID 71982036
1-[4-(2,6-dimethoxybenzoyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796836
(2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 668885
(2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 113077374
1-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 110818045
N-cyclopentyl-4-(2,6-dimethoxybenzoyl)piperazine-1-carboxamide
CID 110810749
1-[4-(2,6-dimethoxybenzoyl)-1,4-diazepan-1-yl]-2,2,2-trifluoroethanone
CID 108543640
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549752
ethyl 4-[1-(2,6-dimethoxybenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 126029620
methyl 4-(2-methoxy-5-methylbenzoyl)piperazine-1-carboxylate
CID 110803244
2-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]acetamide
CID 108563833
methyl 4-[(2-methoxyphenoxy)methylcarbamoyl]piperazine-1-carboxylate
CID 108892416

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,6-dimethoxybenzoyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(2,6-dimethoxybenzoyl)piperazine-1-carboxylate (CID 110818263) is methyl 4-(2,6-dimethoxybenzoyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(2,6-dimethoxybenzoyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(2,6-dimethoxybenzoyl)piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)c2c(OC)cccc2OC)CC1.
What is the InChIKey of methyl 4-(2,6-dimethoxybenzoyl)piperazine-1-carboxylate?
The InChIKey is WFIHJGUAACVNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-20-11-5-4-6-12(21-2)13(11)14(18)16-7-9-17(10-8-16)15(19)22-3/h4-6H,7-10H2,1-3H3.
What are the key properties of methyl 4-(2,6-dimethoxybenzoyl)piperazine-1-carboxylate?
methyl 4-(2,6-dimethoxybenzoyl)piperazine-1-carboxylate has a molecular weight of 308.33 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,6-dimethoxybenzoyl)piperazine-1-carboxylate is sourced from PubChem (CID 110818263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).