methyl 4-(2,3-diethylbenzoyl)piperazine-1-carboxylate

C17H24N2O3 — CID 142475096

IUPACmethyl 4-(2,3-diethylbenzoyl)piperazine-1-carboxylate
SMILESCCc1cccc(C(=O)N2CCN(C(=O)OC)CC2)c1CC
InChIInChI=1S/C17H24N2O3/c1-4-13-7-6-8-15(14(13)5-2)16(20)18-9-11-19(12-10-18)17(21)22-3/h6-8H,4-5,9-12H2,1-3H3
InChIKeyRZORWBIEKZALET-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.34
Rot. Bonds3

About methyl 4-(2,3-diethylbenzoyl)piperazine-1-carboxylate

methyl 4-(2,3-diethylbenzoyl)piperazine-1-carboxylate (PubChem CID 142475096) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is methyl 4-(2,3-diethylbenzoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2,3-diethylbenzoyl)piperazine-1-carboxylate
PubChem CID142475096
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namemethyl 4-(2,3-diethylbenzoyl)piperazine-1-carboxylate
SMILESCCc1cccc(C(=O)N2CCN(C(=O)OC)CC2)c1CC
InChIInChI=1S/C17H24N2O3/c1-4-13-7-6-8-15(14(13)5-2)16(20)18-9-11-19(12-10-18)17(21)22-3/h6-8H,4-5,9-12H2,1-3H3
InChIKeyRZORWBIEKZALET-UHFFFAOYSA-N
XLogP2.34
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,3-diethylbenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 142475066
methyl 4-(2-fluorobenzoyl)-1,4-diazepane-1-carboxylate
CID 110798338
methyl 4-(2,3-dihydro-1H-isoindole-4-carbonyl)piperazine-1-carboxylate
CID 163403218
methyl 4-(2,6-dimethoxybenzoyl)piperazine-1-carboxylate
CID 110818263
ethyl 4-(2-methylbenzoyl)piperazine-1-carboxylate
CID 969363
ethyl 4-(2-fluoro-3-methylbenzoyl)piperazine-1-carboxylate
CID 80710422
ethyl 4-(2-anilinobenzoyl)piperazine-1-carboxylate
CID 25344409
methyl 4-(2-methoxy-5-methylbenzoyl)piperazine-1-carboxylate
CID 110803244
methyl 4-(2,4-dibromobenzoyl)piperazine-1-carboxylate
CID 103882580
methyl 4-(2,6-dichlorobenzoyl)-1,4-diazepane-1-carboxylate
CID 71982036
3-ethyl-2-(methoxymethyl)benzoic acid
CID 177243799
ethyl 4-(3-bromo-2-chlorobenzoyl)piperazine-1-carboxylate
CID 103975216

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,3-diethylbenzoyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(2,3-diethylbenzoyl)piperazine-1-carboxylate (CID 142475096) is methyl 4-(2,3-diethylbenzoyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(2,3-diethylbenzoyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(2,3-diethylbenzoyl)piperazine-1-carboxylate is CCc1cccc(C(=O)N2CCN(C(=O)OC)CC2)c1CC.
What is the InChIKey of methyl 4-(2,3-diethylbenzoyl)piperazine-1-carboxylate?
The InChIKey is RZORWBIEKZALET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-4-13-7-6-8-15(14(13)5-2)16(20)18-9-11-19(12-10-18)17(21)22-3/h6-8H,4-5,9-12H2,1-3H3.
What are the key properties of methyl 4-(2,3-diethylbenzoyl)piperazine-1-carboxylate?
methyl 4-(2,3-diethylbenzoyl)piperazine-1-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,3-diethylbenzoyl)piperazine-1-carboxylate is sourced from PubChem (CID 142475096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).