ethyl 4-[(3-oxo-3-piperidin-1-ylpropanoyl)amino]piperidine-1-carboxylate

C16H27N3O4 — CID 108942361

IUPACethyl 4-[(3-oxo-3-piperidin-1-ylpropanoyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H27N3O4/c1-2-23-16(22)19-10-6-13(7-11-19)17-14(20)12-15(21)18-8-4-3-5-9-18/h13H,2-12H2,1H3,(H,17,20)
InChIKeyRBJJRZHGCNWGLM-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.13
Rot. Bonds4

About ethyl 4-[(3-oxo-3-piperidin-1-ylpropanoyl)amino]piperidine-1-carboxylate

ethyl 4-[(3-oxo-3-piperidin-1-ylpropanoyl)amino]piperidine-1-carboxylate (PubChem CID 108942361) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is ethyl 4-[(3-oxo-3-piperidin-1-ylpropanoyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-oxo-3-piperidin-1-ylpropanoyl)amino]piperidine-1-carboxylate
PubChem CID108942361
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC Nameethyl 4-[(3-oxo-3-piperidin-1-ylpropanoyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H27N3O4/c1-2-23-16(22)19-10-6-13(7-11-19)17-14(20)12-15(21)18-8-4-3-5-9-18/h13H,2-12H2,1H3,(H,17,20)
InChIKeyRBJJRZHGCNWGLM-UHFFFAOYSA-N
XLogP1.13
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[[3-(4-methylpiperidin-1-yl)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108942733
ethyl 4-[3-(cyclopropylamino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108941022
ethyl 4-[[3-(4-ethylpiperazin-1-yl)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108944536
ethyl 4-(piperidine-1-carbonylamino)piperidine-1-carboxylate
CID 108987901
N-cycloheptyl-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108941998
N-cyclohexyl-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108941929
ethyl 4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxylate
CID 43768044
ethyl azacycloundecane-1-carboxylate
CID 67670496
ethyl 4-[[N-ethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111329836
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873
ethyl 4-[[(3Z)-3-amino-3-hydroxyiminopropanoyl]amino]piperidine-1-carboxylate
CID 43333243
ethyl 4-(3,3-dimethylbutanoylamino)piperidine-1-carboxylate
CID 110756025

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-oxo-3-piperidin-1-ylpropanoyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3-oxo-3-piperidin-1-ylpropanoyl)amino]piperidine-1-carboxylate (CID 108942361) is ethyl 4-[(3-oxo-3-piperidin-1-ylpropanoyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3-oxo-3-piperidin-1-ylpropanoyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3-oxo-3-piperidin-1-ylpropanoyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CC(=O)N2CCCCC2)CC1.
What is the InChIKey of ethyl 4-[(3-oxo-3-piperidin-1-ylpropanoyl)amino]piperidine-1-carboxylate?
The InChIKey is RBJJRZHGCNWGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4/c1-2-23-16(22)19-10-6-13(7-11-19)17-14(20)12-15(21)18-8-4-3-5-9-18/h13H,2-12H2,1H3,(H,17,20).
What are the key properties of ethyl 4-[(3-oxo-3-piperidin-1-ylpropanoyl)amino]piperidine-1-carboxylate?
ethyl 4-[(3-oxo-3-piperidin-1-ylpropanoyl)amino]piperidine-1-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-oxo-3-piperidin-1-ylpropanoyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 108942361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).