methyl 4-(4-methoxy-3-propan-2-ylbenzoyl)piperazine-1-carboxylate

C17H24N2O4 — CID 110803260

IUPACmethyl 4-(4-methoxy-3-propan-2-ylbenzoyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)c2ccc(OC)c(C(C)C)c2)CC1
InChIInChI=1S/C17H24N2O4/c1-12(2)14-11-13(5-6-15(14)22-3)16(20)18-7-9-19(10-8-18)17(21)23-4/h5-6,11-12H,7-10H2,1-4H3
InChIKeyXKERAFGKVMDPTL-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.34
Rot. Bonds3

About methyl 4-(4-methoxy-3-propan-2-ylbenzoyl)piperazine-1-carboxylate

methyl 4-(4-methoxy-3-propan-2-ylbenzoyl)piperazine-1-carboxylate (PubChem CID 110803260) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is methyl 4-(4-methoxy-3-propan-2-ylbenzoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-methoxy-3-propan-2-ylbenzoyl)piperazine-1-carboxylate
PubChem CID110803260
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Namemethyl 4-(4-methoxy-3-propan-2-ylbenzoyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)c2ccc(OC)c(C(C)C)c2)CC1
InChIInChI=1S/C17H24N2O4/c1-12(2)14-11-13(5-6-15(14)22-3)16(20)18-7-9-19(10-8-18)17(21)23-4/h5-6,11-12H,7-10H2,1-4H3
InChIKeyXKERAFGKVMDPTL-UHFFFAOYSA-N
XLogP2.34
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxy-3-propan-2-ylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 58015998
1-[4-(4-methoxy-3-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
CID 110761401
methyl 4-(3-chloro-4-ethoxybenzoyl)piperazine-1-carboxylate
CID 110803291
[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-(4-methoxy-3-propan-2-ylphenyl)methanone
CID 154762450
methyl 4-(4-methoxy-3-propan-2-ylphenyl)sulfonyl-1,4-diazepane-1-carboxylate
CID 110799101
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 95178992
N-[2-methoxy-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110800272
methyl 4-(5-chloro-2-methoxybenzoyl)piperazine-1-carboxylate
CID 110803250
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 95178995
methyl 4-(2-methoxy-5-methylbenzoyl)piperazine-1-carboxylate
CID 110803244
2-(4-methoxy-3-propan-2-ylphenyl)-N-methyl-2-oxoacetamide
CID 82116578
methyl 4-(2,6-dimethoxybenzoyl)piperazine-1-carboxylate
CID 110818263

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methoxy-3-propan-2-ylbenzoyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(4-methoxy-3-propan-2-ylbenzoyl)piperazine-1-carboxylate (CID 110803260) is methyl 4-(4-methoxy-3-propan-2-ylbenzoyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(4-methoxy-3-propan-2-ylbenzoyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(4-methoxy-3-propan-2-ylbenzoyl)piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)c2ccc(OC)c(C(C)C)c2)CC1.
What is the InChIKey of methyl 4-(4-methoxy-3-propan-2-ylbenzoyl)piperazine-1-carboxylate?
The InChIKey is XKERAFGKVMDPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-12(2)14-11-13(5-6-15(14)22-3)16(20)18-7-9-19(10-8-18)17(21)23-4/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of methyl 4-(4-methoxy-3-propan-2-ylbenzoyl)piperazine-1-carboxylate?
methyl 4-(4-methoxy-3-propan-2-ylbenzoyl)piperazine-1-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methoxy-3-propan-2-ylbenzoyl)piperazine-1-carboxylate is sourced from PubChem (CID 110803260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).