ethyl 4-(3,4,5-trimethoxybenzoyl)piperazine-2-carboxylate

C17H24N2O6 — CID 10360649

IUPACethyl 4-(3,4,5-trimethoxybenzoyl)piperazine-2-carboxylate
SMILESCCOC(=O)C1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1
InChIInChI=1S/C17H24N2O6/c1-5-25-17(21)12-10-19(7-6-18-12)16(20)11-8-13(22-2)15(24-4)14(9-11)23-3/h8-9,12,18H,5-7,10H2,1-4H3
InChIKeyHNJPWMXAMFPRFM-UHFFFAOYSA-N
MW352.39 g/mol
LogP0.69
Rot. Bonds6

About ethyl 4-(3,4,5-trimethoxybenzoyl)piperazine-2-carboxylate

ethyl 4-(3,4,5-trimethoxybenzoyl)piperazine-2-carboxylate (PubChem CID 10360649) has the molecular formula C17H24N2O6 and a molecular weight of 352.39 g/mol. Its IUPAC name is ethyl 4-(3,4,5-trimethoxybenzoyl)piperazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3,4,5-trimethoxybenzoyl)piperazine-2-carboxylate
PubChem CID10360649
Molecular FormulaC17H24N2O6
Molecular Weight352.39 g/mol
Exact Mass352.16
IUPAC Nameethyl 4-(3,4,5-trimethoxybenzoyl)piperazine-2-carboxylate
SMILESCCOC(=O)C1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1
InChIInChI=1S/C17H24N2O6/c1-5-25-17(21)12-10-19(7-6-18-12)16(20)11-8-13(22-2)15(24-4)14(9-11)23-3/h8-9,12,18H,5-7,10H2,1-4H3
InChIKeyHNJPWMXAMFPRFM-UHFFFAOYSA-N
XLogP0.69
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-benzoylpiperazine-2-carboxylate
CID 18412087
ethyl (3R)-1-(3-chloro-4,5-dimethoxybenzoyl)piperidine-3-carboxylate
CID 30880442
(3,5-dimethoxy-4-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 119580704
methyl 4-(4-methoxybenzoyl)piperazine-2-carboxylate
CID 78454952
ethyl (3S)-1-(3,5-dichloro-4-methoxybenzoyl)piperidine-3-carboxylate
CID 52510977
[3-(methylamino)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 81469626
ethyl [4-[4-(3,4,5-trimethoxybenzoyl)piperazine-1-carbonyl]phenyl] carbonate
CID 108929525
ethyl 4-methylpiperazine-2-carboxylate
CID 12558522
(4-cyclopropylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110708525
(3,5-dimethylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride
CID 119564338
1-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-5-one
CID 110727928
(3,4-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428147

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3,4,5-trimethoxybenzoyl)piperazine-2-carboxylate?
The IUPAC name of ethyl 4-(3,4,5-trimethoxybenzoyl)piperazine-2-carboxylate (CID 10360649) is ethyl 4-(3,4,5-trimethoxybenzoyl)piperazine-2-carboxylate.
What is the SMILES notation for ethyl 4-(3,4,5-trimethoxybenzoyl)piperazine-2-carboxylate?
The canonical SMILES for ethyl 4-(3,4,5-trimethoxybenzoyl)piperazine-2-carboxylate is CCOC(=O)C1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1.
What is the InChIKey of ethyl 4-(3,4,5-trimethoxybenzoyl)piperazine-2-carboxylate?
The InChIKey is HNJPWMXAMFPRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6/c1-5-25-17(21)12-10-19(7-6-18-12)16(20)11-8-13(22-2)15(24-4)14(9-11)23-3/h8-9,12,18H,5-7,10H2,1-4H3.
What are the key properties of ethyl 4-(3,4,5-trimethoxybenzoyl)piperazine-2-carboxylate?
ethyl 4-(3,4,5-trimethoxybenzoyl)piperazine-2-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3,4,5-trimethoxybenzoyl)piperazine-2-carboxylate is sourced from PubChem (CID 10360649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).