ethyl 4-(2-anilinobenzoyl)piperazine-1-carboxylate

C20H23N3O3 — CID 25344409

IUPACethyl 4-(2-anilinobenzoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1
InChIInChI=1S/C20H23N3O3/c1-2-26-20(25)23-14-12-22(13-15-23)19(24)17-10-6-7-11-18(17)21-16-8-4-3-5-9-16/h3-11,21H,2,12-15H2,1H3
InChIKeyKAJFFIPTVPWVCR-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.34
Rot. Bonds4

About ethyl 4-(2-anilinobenzoyl)piperazine-1-carboxylate

ethyl 4-(2-anilinobenzoyl)piperazine-1-carboxylate (PubChem CID 25344409) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is ethyl 4-(2-anilinobenzoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-anilinobenzoyl)piperazine-1-carboxylate
PubChem CID25344409
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Nameethyl 4-(2-anilinobenzoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1
InChIInChI=1S/C20H23N3O3/c1-2-26-20(25)23-14-12-22(13-15-23)19(24)17-10-6-7-11-18(17)21-16-8-4-3-5-9-16/h3-11,21H,2,12-15H2,1H3
InChIKeyKAJFFIPTVPWVCR-UHFFFAOYSA-N
XLogP3.34
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-anilinophenyl)-(azepan-1-yl)methanone
CID 25352843
ethyl 4-(2-methylbenzoyl)piperazine-1-carboxylate
CID 969363
ethyl 4-[2-[(2,2,2-trichloroacetyl)amino]benzoyl]piperazine-1-carboxylate
CID 17311910
(2-anilinophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119644674
ethyl 4-[2-[[2-(benzenesulfonyl)acetyl]amino]benzoyl]piperazine-1-carboxylate
CID 17312299
(4-aminopiperidin-1-yl)-(2-anilinophenyl)methanone
CID 119373306
ethyl 4-[2-(2-phenoxypropanoylamino)benzoyl]piperazine-1-carboxylate
CID 17311893
ethyl 4-[2-[[4-[(2-phenylacetyl)amino]benzoyl]amino]benzoyl]piperazine-1-carboxylate
CID 17119641
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
(2-anilinophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 27259352
ethyl 4-[2-[(3-methylbenzoyl)amino]benzoyl]piperazine-1-carboxylate
CID 2984971
ethyl 4-[2-[[(E)-2,3-diphenylprop-2-enoyl]amino]benzoyl]piperazine-1-carboxylate
CID 17312009

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-anilinobenzoyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2-anilinobenzoyl)piperazine-1-carboxylate (CID 25344409) is ethyl 4-(2-anilinobenzoyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-anilinobenzoyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-anilinobenzoyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1.
What is the InChIKey of ethyl 4-(2-anilinobenzoyl)piperazine-1-carboxylate?
The InChIKey is KAJFFIPTVPWVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-2-26-20(25)23-14-12-22(13-15-23)19(24)17-10-6-7-11-18(17)21-16-8-4-3-5-9-16/h3-11,21H,2,12-15H2,1H3.
What are the key properties of ethyl 4-(2-anilinobenzoyl)piperazine-1-carboxylate?
ethyl 4-(2-anilinobenzoyl)piperazine-1-carboxylate has a molecular weight of 353.42 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-anilinobenzoyl)piperazine-1-carboxylate is sourced from PubChem (CID 25344409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).