ethyl 4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]piperidine-1-carboxylate

C19H23N3O5 — CID 31542255

IUPACethyl 4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1
InChIInChI=1S/C19H23N3O5/c1-2-27-19(26)21-11-9-14(10-12-21)20-18(25)13-3-5-15(6-4-13)22-16(23)7-8-17(22)24/h3-6,14H,2,7-12H2,1H3,(H,20,25)
InChIKeyWSIQSIJAPGDZOD-UHFFFAOYSA-N
MW373.41 g/mol
LogP1.69
Rot. Bonds4

About ethyl 4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]piperidine-1-carboxylate

ethyl 4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]piperidine-1-carboxylate (PubChem CID 31542255) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is ethyl 4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]piperidine-1-carboxylate
PubChem CID31542255
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Nameethyl 4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1
InChIInChI=1S/C19H23N3O5/c1-2-27-19(26)21-11-9-14(10-12-21)20-18(25)13-3-5-15(6-4-13)22-16(23)7-8-17(22)24/h3-6,14H,2,7-12H2,1H3,(H,20,25)
InChIKeyWSIQSIJAPGDZOD-UHFFFAOYSA-N
XLogP1.69
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192
ethyl 4-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]piperidine-1-carboxylate
CID 31843166
ethyl 4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate
CID 17473701
ethyl 4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]piperidine-1-carboxylate
CID 42349867
ethyl 4-[(4-ethoxy-3-methylbenzoyl)amino]piperidine-1-carboxylate
CID 110762169
ethyl 4-[(6-methoxypyridine-3-carbonyl)amino]piperidine-1-carboxylate
CID 31844781
ethyl 4-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]amino]piperidine-1-carboxylate
CID 25378335
ethyl 4-[(1-tert-butylpyrrole-3-carbonyl)amino]piperidine-1-carboxylate
CID 110699015
ethyl 4-[(4-pyridin-3-yloxybenzoyl)amino]piperidine-1-carboxylate
CID 47990681
ethyl 4-[[4-(2,5-dimethylphenyl)sulfonyloxybenzoyl]amino]piperidine-1-carboxylate
CID 31098019

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]piperidine-1-carboxylate (CID 31542255) is ethyl 4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1.
What is the InChIKey of ethyl 4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]piperidine-1-carboxylate?
The InChIKey is WSIQSIJAPGDZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-2-27-19(26)21-11-9-14(10-12-21)20-18(25)13-3-5-15(6-4-13)22-16(23)7-8-17(22)24/h3-6,14H,2,7-12H2,1H3,(H,20,25).
What are the key properties of ethyl 4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]piperidine-1-carboxylate?
ethyl 4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]piperidine-1-carboxylate has a molecular weight of 373.41 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 31542255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).