ethyl 4-[4-(methoxymethyl)benzoyl]piperazine-1-carboxylate

C16H22N2O4 — CID 9173331

IUPACethyl 4-[4-(methoxymethyl)benzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(COC)cc2)CC1
InChIInChI=1S/C16H22N2O4/c1-3-22-16(20)18-10-8-17(9-11-18)15(19)14-6-4-13(5-7-14)12-21-2/h4-7H,3,8-12H2,1-2H3
InChIKeyAMTYNECZAFHACN-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.75
Rot. Bonds4

About ethyl 4-[4-(methoxymethyl)benzoyl]piperazine-1-carboxylate

ethyl 4-[4-(methoxymethyl)benzoyl]piperazine-1-carboxylate (PubChem CID 9173331) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is ethyl 4-[4-(methoxymethyl)benzoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(methoxymethyl)benzoyl]piperazine-1-carboxylate
PubChem CID9173331
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Nameethyl 4-[4-(methoxymethyl)benzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(COC)cc2)CC1
InChIInChI=1S/C16H22N2O4/c1-3-22-16(20)18-10-8-17(9-11-18)15(19)14-6-4-13(5-7-14)12-21-2/h4-7H,3,8-12H2,1-2H3
InChIKeyAMTYNECZAFHACN-UHFFFAOYSA-N
XLogP1.75
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate
CID 3146125
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ethyl 4-[5-(methoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate
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ethyl 4-[4-[(3-methylphenoxy)methyl]benzoyl]piperazine-1-carboxylate
CID 2976842
ethyl 4-[4-(dimethylamino)benzoyl]piperazine-1-carboxylate
CID 35508651
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CID 78791438
ethyl 4-[4-(methoxymethyl)anilino]piperidine-1-carboxylate
CID 119050059
ethyl 4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxylate
CID 110798379
ethyl 4-[4-(dimethylsulfamoyl)benzoyl]piperazine-1-carboxylate
CID 3308115
benzyl 4-(4-ethoxycarbonyloxybenzoyl)piperazine-1-carboxylate
CID 108567593
ethyl 4-(4-tert-butylbenzoyl)-1,4-diazepane-1-carboxylate
CID 110798584

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(methoxymethyl)benzoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(methoxymethyl)benzoyl]piperazine-1-carboxylate (CID 9173331) is ethyl 4-[4-(methoxymethyl)benzoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(methoxymethyl)benzoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(methoxymethyl)benzoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccc(COC)cc2)CC1.
What is the InChIKey of ethyl 4-[4-(methoxymethyl)benzoyl]piperazine-1-carboxylate?
The InChIKey is AMTYNECZAFHACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-3-22-16(20)18-10-8-17(9-11-18)15(19)14-6-4-13(5-7-14)12-21-2/h4-7H,3,8-12H2,1-2H3.
What are the key properties of ethyl 4-[4-(methoxymethyl)benzoyl]piperazine-1-carboxylate?
ethyl 4-[4-(methoxymethyl)benzoyl]piperazine-1-carboxylate has a molecular weight of 306.36 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(methoxymethyl)benzoyl]piperazine-1-carboxylate is sourced from PubChem (CID 9173331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).