ethyl 4-[2-(2-phenoxypropanoylamino)benzoyl]piperazine-1-carboxylate

C23H27N3O5 — CID 17311893

IUPACethyl 4-[2-(2-phenoxypropanoylamino)benzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)C(C)Oc2ccccc2)CC1
InChIInChI=1S/C23H27N3O5/c1-3-30-23(29)26-15-13-25(14-16-26)22(28)19-11-7-8-12-20(19)24-21(27)17(2)31-18-9-5-4-6-10-18/h4-12,17H,3,13-16H2,1-2H3,(H,24,27)
InChIKeyFGRDHLULSDWLQL-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.01
Rot. Bonds6

About ethyl 4-[2-(2-phenoxypropanoylamino)benzoyl]piperazine-1-carboxylate

ethyl 4-[2-(2-phenoxypropanoylamino)benzoyl]piperazine-1-carboxylate (PubChem CID 17311893) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is ethyl 4-[2-(2-phenoxypropanoylamino)benzoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(2-phenoxypropanoylamino)benzoyl]piperazine-1-carboxylate
PubChem CID17311893
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC Nameethyl 4-[2-(2-phenoxypropanoylamino)benzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)C(C)Oc2ccccc2)CC1
InChIInChI=1S/C23H27N3O5/c1-3-30-23(29)26-15-13-25(14-16-26)22(28)19-11-7-8-12-20(19)24-21(27)17(2)31-18-9-5-4-6-10-18/h4-12,17H,3,13-16H2,1-2H3,(H,24,27)
InChIKeyFGRDHLULSDWLQL-UHFFFAOYSA-N
XLogP3.01
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 40796627
2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 5138482
ethyl 4-[2-(2-ethylhexanoylamino)benzoyl]piperazine-1-carboxylate
CID 17311766
2-(4-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 4933116
2-(4-ethylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 4953377
2-(4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]propanamide
CID 4939471
(2S)-2-(4-ethylphenoxy)-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]propanamide
CID 9237169
ethyl 4-[2-[[2-(benzenesulfonyl)acetyl]amino]benzoyl]piperazine-1-carboxylate
CID 17312299
ethyl 4-(2-anilinobenzoyl)piperazine-1-carboxylate
CID 25344409
(2R)-2-(3-methoxyphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 28637146
ethyl 4-[2-[(2,2,2-trichloroacetyl)amino]benzoyl]piperazine-1-carboxylate
CID 17311910
2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 1336329

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2-phenoxypropanoylamino)benzoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(2-phenoxypropanoylamino)benzoyl]piperazine-1-carboxylate (CID 17311893) is ethyl 4-[2-(2-phenoxypropanoylamino)benzoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(2-phenoxypropanoylamino)benzoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(2-phenoxypropanoylamino)benzoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)C(C)Oc2ccccc2)CC1.
What is the InChIKey of ethyl 4-[2-(2-phenoxypropanoylamino)benzoyl]piperazine-1-carboxylate?
The InChIKey is FGRDHLULSDWLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-3-30-23(29)26-15-13-25(14-16-26)22(28)19-11-7-8-12-20(19)24-21(27)17(2)31-18-9-5-4-6-10-18/h4-12,17H,3,13-16H2,1-2H3,(H,24,27).
What are the key properties of ethyl 4-[2-(2-phenoxypropanoylamino)benzoyl]piperazine-1-carboxylate?
ethyl 4-[2-(2-phenoxypropanoylamino)benzoyl]piperazine-1-carboxylate has a molecular weight of 425.49 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2-phenoxypropanoylamino)benzoyl]piperazine-1-carboxylate is sourced from PubChem (CID 17311893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).