methyl 4-(2-methoxy-5-methylbenzoyl)piperazine-1-carboxylate

C15H20N2O4 — CID 110803244

IUPACmethyl 4-(2-methoxy-5-methylbenzoyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)c2cc(C)ccc2OC)CC1
InChIInChI=1S/C15H20N2O4/c1-11-4-5-13(20-2)12(10-11)14(18)16-6-8-17(9-7-16)15(19)21-3/h4-5,10H,6-9H2,1-3H3
InChIKeyHWQXHDPDTQRXOB-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.53
Rot. Bonds2

About methyl 4-(2-methoxy-5-methylbenzoyl)piperazine-1-carboxylate

methyl 4-(2-methoxy-5-methylbenzoyl)piperazine-1-carboxylate (PubChem CID 110803244) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl 4-(2-methoxy-5-methylbenzoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-methoxy-5-methylbenzoyl)piperazine-1-carboxylate
PubChem CID110803244
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Namemethyl 4-(2-methoxy-5-methylbenzoyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)c2cc(C)ccc2OC)CC1
InChIInChI=1S/C15H20N2O4/c1-11-4-5-13(20-2)12(10-11)14(18)16-6-8-17(9-7-16)15(19)21-3/h4-5,10H,6-9H2,1-3H3
InChIKeyHWQXHDPDTQRXOB-UHFFFAOYSA-N
XLogP1.53
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(5-chloro-2-methoxybenzoyl)piperazine-1-carboxylate
CID 110803250
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 110814937
methyl 4-(2-fluoro-4-methylbenzoyl)piperazine-1-carboxylate
CID 79777957
1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 51211834
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 31363177
(4-chlorophenyl)-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 110802853
(2-fluorophenyl)-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 33466313
methyl 4-(5-acetamido-2-methoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110808791
(2,5-dimethylphenyl)-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]methanone
CID 110814877
(2-methoxy-5-methylphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51211149
N-tert-butyl-4-(2-methoxy-5-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 110813376
cyclohexyl-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 110801029

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methoxy-5-methylbenzoyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(2-methoxy-5-methylbenzoyl)piperazine-1-carboxylate (CID 110803244) is methyl 4-(2-methoxy-5-methylbenzoyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(2-methoxy-5-methylbenzoyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(2-methoxy-5-methylbenzoyl)piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)c2cc(C)ccc2OC)CC1.
What is the InChIKey of methyl 4-(2-methoxy-5-methylbenzoyl)piperazine-1-carboxylate?
The InChIKey is HWQXHDPDTQRXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-11-4-5-13(20-2)12(10-11)14(18)16-6-8-17(9-7-16)15(19)21-3/h4-5,10H,6-9H2,1-3H3.
What are the key properties of methyl 4-(2-methoxy-5-methylbenzoyl)piperazine-1-carboxylate?
methyl 4-(2-methoxy-5-methylbenzoyl)piperazine-1-carboxylate has a molecular weight of 292.34 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methoxy-5-methylbenzoyl)piperazine-1-carboxylate is sourced from PubChem (CID 110803244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).