ethyl 4-[3-(phenylcarbamoyl)benzoyl]piperazine-1-carboxylate

C21H23N3O4 — CID 109055762

IUPACethyl 4-[3-(phenylcarbamoyl)benzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cccc(C(=O)Nc3ccccc3)c2)CC1
InChIInChI=1S/C21H23N3O4/c1-2-28-21(27)24-13-11-23(12-14-24)20(26)17-8-6-7-16(15-17)19(25)22-18-9-4-3-5-10-18/h3-10,15H,2,11-14H2,1H3,(H,22,25)
InChIKeyHOPNJHUCSDOJOU-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.85
Rot. Bonds4

About ethyl 4-[3-(phenylcarbamoyl)benzoyl]piperazine-1-carboxylate

ethyl 4-[3-(phenylcarbamoyl)benzoyl]piperazine-1-carboxylate (PubChem CID 109055762) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is ethyl 4-[3-(phenylcarbamoyl)benzoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(phenylcarbamoyl)benzoyl]piperazine-1-carboxylate
PubChem CID109055762
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Nameethyl 4-[3-(phenylcarbamoyl)benzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cccc(C(=O)Nc3ccccc3)c2)CC1
InChIInChI=1S/C21H23N3O4/c1-2-28-21(27)24-13-11-23(12-14-24)20(26)17-8-6-7-16(15-17)19(25)22-18-9-4-3-5-10-18/h3-10,15H,2,11-14H2,1H3,(H,22,25)
InChIKeyHOPNJHUCSDOJOU-UHFFFAOYSA-N
XLogP2.85
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
ethyl 4-[6-(phenylcarbamoyl)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109098907
ethyl 4-[[3-(morpholine-4-carbonyl)benzoyl]amino]benzoate
CID 109052957
ethyl 4-[2-[(3-methylbenzoyl)amino]benzoyl]piperazine-1-carboxylate
CID 2984971
ethyl 4-(3-sulfanylbenzoyl)piperazine-1-carboxylate
CID 107877787
ethyl 4-[4-[(3-methoxybenzoyl)amino]phenyl]piperazine-1-carboxylate
CID 112984389
ethyl 4-[2-[(3-chlorobenzoyl)amino]benzoyl]piperazine-1-carboxylate
CID 17311490
3-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)benzamide
CID 109053712
ethyl 4-[5-[(2-methylphenyl)carbamoyl]pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109106680
N-(3,5-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053558
N-(3-acetamidophenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053601
ethyl 4-(3-chlorobenzoyl)-1,4-diazepane-1-carboxylate
CID 110798803

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(phenylcarbamoyl)benzoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(phenylcarbamoyl)benzoyl]piperazine-1-carboxylate (CID 109055762) is ethyl 4-[3-(phenylcarbamoyl)benzoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(phenylcarbamoyl)benzoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(phenylcarbamoyl)benzoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cccc(C(=O)Nc3ccccc3)c2)CC1.
What is the InChIKey of ethyl 4-[3-(phenylcarbamoyl)benzoyl]piperazine-1-carboxylate?
The InChIKey is HOPNJHUCSDOJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-2-28-21(27)24-13-11-23(12-14-24)20(26)17-8-6-7-16(15-17)19(25)22-18-9-4-3-5-10-18/h3-10,15H,2,11-14H2,1H3,(H,22,25).
What are the key properties of ethyl 4-[3-(phenylcarbamoyl)benzoyl]piperazine-1-carboxylate?
ethyl 4-[3-(phenylcarbamoyl)benzoyl]piperazine-1-carboxylate has a molecular weight of 381.43 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(phenylcarbamoyl)benzoyl]piperazine-1-carboxylate is sourced from PubChem (CID 109055762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).