phenyl 4-(2-methoxy-4,6-dimethylbenzoyl)piperazine-1-carboxylate

C21H24N2O4 — CID 110803586

IUPACphenyl 4-(2-methoxy-4,6-dimethylbenzoyl)piperazine-1-carboxylate
SMILESCOc1cc(C)cc(C)c1C(=O)N1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C21H24N2O4/c1-15-13-16(2)19(18(14-15)26-3)20(24)22-9-11-23(12-10-22)21(25)27-17-7-5-4-6-8-17/h4-8,13-14H,9-12H2,1-3H3
InChIKeyCTBZFJWHSNAMCQ-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.27
Rot. Bonds3

About phenyl 4-(2-methoxy-4,6-dimethylbenzoyl)piperazine-1-carboxylate

phenyl 4-(2-methoxy-4,6-dimethylbenzoyl)piperazine-1-carboxylate (PubChem CID 110803586) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is phenyl 4-(2-methoxy-4,6-dimethylbenzoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-(2-methoxy-4,6-dimethylbenzoyl)piperazine-1-carboxylate
PubChem CID110803586
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Namephenyl 4-(2-methoxy-4,6-dimethylbenzoyl)piperazine-1-carboxylate
SMILESCOc1cc(C)cc(C)c1C(=O)N1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C21H24N2O4/c1-15-13-16(2)19(18(14-15)26-3)20(24)22-9-11-23(12-10-22)21(25)27-17-7-5-4-6-8-17/h4-8,13-14H,9-12H2,1-3H3
InChIKeyCTBZFJWHSNAMCQ-UHFFFAOYSA-N
XLogP3.27
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

furan-2-yl-[4-(2-methoxy-4,6-dimethylbenzoyl)piperazin-1-yl]methanone
CID 110764965
phenyl 4-(3,5-dimethoxybenzoyl)piperazine-1-carboxylate
CID 110365696
methyl 4-(2,4,6-trimethylbenzoyl)piperazine-1-carboxylate
CID 110803264
4-(2-methoxy-4,6-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812720
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methoxy-4,6-dimethylphenyl)methanone
CID 110764959
methyl 4-(2,4,6-trimethylbenzoyl)-1,4-diazepane-1-carboxylate
CID 110808728
(2-methoxy-4,6-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 110764973
ethyl 1-(2-methoxy-4,6-dimethylbenzoyl)piperidine-4-carboxylate
CID 110764961
phenyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate
CID 108568141
methyl 4-(2,6-dimethoxybenzoyl)piperazine-1-carboxylate
CID 110818263
phenyl 6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 110756222
5-[4-(2-methoxy-4,6-dimethylbenzoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 110816235

Frequently Asked Questions

What is the IUPAC name of phenyl 4-(2-methoxy-4,6-dimethylbenzoyl)piperazine-1-carboxylate?
The IUPAC name of phenyl 4-(2-methoxy-4,6-dimethylbenzoyl)piperazine-1-carboxylate (CID 110803586) is phenyl 4-(2-methoxy-4,6-dimethylbenzoyl)piperazine-1-carboxylate.
What is the SMILES notation for phenyl 4-(2-methoxy-4,6-dimethylbenzoyl)piperazine-1-carboxylate?
The canonical SMILES for phenyl 4-(2-methoxy-4,6-dimethylbenzoyl)piperazine-1-carboxylate is COc1cc(C)cc(C)c1C(=O)N1CCN(C(=O)Oc2ccccc2)CC1.
What is the InChIKey of phenyl 4-(2-methoxy-4,6-dimethylbenzoyl)piperazine-1-carboxylate?
The InChIKey is CTBZFJWHSNAMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-15-13-16(2)19(18(14-15)26-3)20(24)22-9-11-23(12-10-22)21(25)27-17-7-5-4-6-8-17/h4-8,13-14H,9-12H2,1-3H3.
What are the key properties of phenyl 4-(2-methoxy-4,6-dimethylbenzoyl)piperazine-1-carboxylate?
phenyl 4-(2-methoxy-4,6-dimethylbenzoyl)piperazine-1-carboxylate has a molecular weight of 368.43 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-(2-methoxy-4,6-dimethylbenzoyl)piperazine-1-carboxylate is sourced from PubChem (CID 110803586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).