ethyl 4-benzoylpiperazine-2-carboxylate

C14H18N2O3 — CID 18412087

IUPACethyl 4-benzoylpiperazine-2-carboxylate
SMILESCCOC(=O)C1CN(C(=O)c2ccccc2)CCN1
InChIInChI=1S/C14H18N2O3/c1-2-19-14(18)12-10-16(9-8-15-12)13(17)11-6-4-3-5-7-11/h3-7,12,15H,2,8-10H2,1H3
InChIKeyBSMBWJKWDUGQQX-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.66
Rot. Bonds3

About ethyl 4-benzoylpiperazine-2-carboxylate

ethyl 4-benzoylpiperazine-2-carboxylate (PubChem CID 18412087) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is ethyl 4-benzoylpiperazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-benzoylpiperazine-2-carboxylate
PubChem CID18412087
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Nameethyl 4-benzoylpiperazine-2-carboxylate
SMILESCCOC(=O)C1CN(C(=O)c2ccccc2)CCN1
InChIInChI=1S/C14H18N2O3/c1-2-19-14(18)12-10-16(9-8-15-12)13(17)11-6-4-3-5-7-11/h3-7,12,15H,2,8-10H2,1H3
InChIKeyBSMBWJKWDUGQQX-UHFFFAOYSA-N
XLogP0.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(3,4,5-trimethoxybenzoyl)piperazine-2-carboxylate
CID 10360649
ethyl (3R)-1-(4-benzoylbenzoyl)piperidine-3-carboxylate
CID 30283825
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
ethyl 4-methylpiperazine-2-carboxylate
CID 12558522
phenyl-(3-phenylpiperazin-1-yl)methanone
CID 82246904
ethyl 1-benzoylaziridine-2-carboxylate
CID 121014721
1-O-benzyl 3-O-methyl (3S)-piperazine-1,3-dicarboxylate;hydrochloride
CID 45072570
1-O-benzyl 3-O-methyl (3R)-piperazine-1,3-dicarboxylate;hydrochloride
CID 45072569
ethyl 3-phenylpiperazine-1-carboxylate
CID 2771740
ethyl 4-[1,2-bis(2-chlorophenyl)ethyl]piperazine-2-carboxylate
CID 67733334
(3-nitropiperazin-1-yl)-phenylmethanone
CID 141084089
4-[3-(2,2,2-trifluoroethoxy)benzoyl]piperazine-2-carboxylic acid
CID 56868797

Frequently Asked Questions

What is the IUPAC name of ethyl 4-benzoylpiperazine-2-carboxylate?
The IUPAC name of ethyl 4-benzoylpiperazine-2-carboxylate (CID 18412087) is ethyl 4-benzoylpiperazine-2-carboxylate.
What is the SMILES notation for ethyl 4-benzoylpiperazine-2-carboxylate?
The canonical SMILES for ethyl 4-benzoylpiperazine-2-carboxylate is CCOC(=O)C1CN(C(=O)c2ccccc2)CCN1.
What is the InChIKey of ethyl 4-benzoylpiperazine-2-carboxylate?
The InChIKey is BSMBWJKWDUGQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-19-14(18)12-10-16(9-8-15-12)13(17)11-6-4-3-5-7-11/h3-7,12,15H,2,8-10H2,1H3.
What are the key properties of ethyl 4-benzoylpiperazine-2-carboxylate?
ethyl 4-benzoylpiperazine-2-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-benzoylpiperazine-2-carboxylate is sourced from PubChem (CID 18412087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).