ethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]piperidine-1-carboxylate

C17H29N3O4 — CID 108523558

IUPACethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C(=O)N2CCCCC2CC)CC1
InChIInChI=1S/C17H29N3O4/c1-3-14-7-5-6-10-20(14)16(22)15(21)18-13-8-11-19(12-9-13)17(23)24-4-2/h13-14H,3-12H2,1-2H3,(H,18,21)
InChIKeyMJVAYUFUOBHIKV-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.51
Rot. Bonds3

About ethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]piperidine-1-carboxylate (PubChem CID 108523558) has the molecular formula C17H29N3O4 and a molecular weight of 339.44 g/mol. Its IUPAC name is ethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]piperidine-1-carboxylate
PubChem CID108523558
Molecular FormulaC17H29N3O4
Molecular Weight339.44 g/mol
Exact Mass339.22
IUPAC Nameethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C(=O)N2CCCCC2CC)CC1
InChIInChI=1S/C17H29N3O4/c1-3-14-7-5-6-10-20(14)16(22)15(21)18-13-8-11-19(12-9-13)17(23)24-4-2/h13-14H,3-12H2,1-2H3,(H,18,21)
InChIKeyMJVAYUFUOBHIKV-UHFFFAOYSA-N
XLogP1.51
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperazine-1-carboxylate
CID 108523595
ethyl 4-[(3-oxo-3-piperidin-1-ylpropanoyl)amino]piperidine-1-carboxylate
CID 108942361
ethyl 4-[[(2R)-1-ethylpiperidin-2-yl]methylcarbamoylamino]piperidine-1-carboxylate
CID 95765263
ethyl 4-(3,3-dimethylbutanoylamino)piperidine-1-carboxylate
CID 110756025
ethyl 4-(piperidine-1-carbonylamino)piperidine-1-carboxylate
CID 108987901
ethyl 4-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]piperazine-1-carboxylate
CID 109029138
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873
N-cyclopentyl-2-ethylpiperidine-1-carboxamide
CID 17174323
4-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991785
ethyl 4-[[(3Z)-3-amino-3-hydroxyiminopropanoyl]amino]piperidine-1-carboxylate
CID 43333243
ethyl 3-(2-ethylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 134002906
(2R)-N-cyclohexyl-2-ethylpiperidine-1-carboxamide
CID 896060

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]piperidine-1-carboxylate (CID 108523558) is ethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C(=O)N2CCCCC2CC)CC1.
What is the InChIKey of ethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]piperidine-1-carboxylate?
The InChIKey is MJVAYUFUOBHIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O4/c1-3-14-7-5-6-10-20(14)16(22)15(21)18-13-8-11-19(12-9-13)17(23)24-4-2/h13-14H,3-12H2,1-2H3,(H,18,21).
What are the key properties of ethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]piperidine-1-carboxylate has a molecular weight of 339.44 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 108523558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).