ethyl 4-benzoylpiperazine-1-carboxylate

C14H18N2O3 — CID 3273572

IUPACethyl 4-benzoylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C14H18N2O3/c1-2-19-14(18)16-10-8-15(9-11-16)13(17)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChIKeySFXQSVSLRZSUPT-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.60
Rot. Bonds2

About ethyl 4-benzoylpiperazine-1-carboxylate

ethyl 4-benzoylpiperazine-1-carboxylate (PubChem CID 3273572) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is ethyl 4-benzoylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-benzoylpiperazine-1-carboxylate
PubChem CID3273572
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Nameethyl 4-benzoylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C14H18N2O3/c1-2-19-14(18)16-10-8-15(9-11-16)13(17)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChIKeySFXQSVSLRZSUPT-UHFFFAOYSA-N
XLogP1.60
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate
CID 3146125
ethyl 4-(4-phenoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110808983
ethyl 4-[4-(phenoxymethyl)benzoyl]piperazine-1-carboxylate
CID 6457055
ethyl 4-(3-sulfanylbenzoyl)piperazine-1-carboxylate
CID 107877787
ethyl 4-[3-(phenylcarbamoyl)benzoyl]piperazine-1-carboxylate
CID 109055762
ethyl 4-(4-methylsulfanylbenzoyl)piperazine-1-carboxylate
CID 78791438
ethyl 4-[4-(dimethylamino)benzoyl]piperazine-1-carboxylate
CID 35508651
ethyl 4-(2-methylbenzoyl)piperazine-1-carboxylate
CID 969363
ethyl 4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxylate
CID 110798379
ethyl 4-[4-(methoxymethyl)benzoyl]piperazine-1-carboxylate
CID 9173331
benzyl 4-(4-ethoxycarbonyloxybenzoyl)piperazine-1-carboxylate
CID 108567593
ethyl 4-[4-(2-phenylsulfanylethoxy)benzoyl]piperazine-1-carboxylate
CID 38002375

Frequently Asked Questions

What is the IUPAC name of ethyl 4-benzoylpiperazine-1-carboxylate?
The IUPAC name of ethyl 4-benzoylpiperazine-1-carboxylate (CID 3273572) is ethyl 4-benzoylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-benzoylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 4-benzoylpiperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of ethyl 4-benzoylpiperazine-1-carboxylate?
The InChIKey is SFXQSVSLRZSUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-19-14(18)16-10-8-15(9-11-16)13(17)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3.
What are the key properties of ethyl 4-benzoylpiperazine-1-carboxylate?
ethyl 4-benzoylpiperazine-1-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-benzoylpiperazine-1-carboxylate is sourced from PubChem (CID 3273572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).