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

C16H27N3O4 — CID 108523595

IUPACethyl 4-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C(=O)N2CCCCC2CC)CC1
InChIInChI=1S/C16H27N3O4/c1-3-13-7-5-6-8-19(13)15(21)14(20)17-9-11-18(12-10-17)16(22)23-4-2/h13H,3-12H2,1-2H3
InChIKeyPPFNYIKGCVTTTN-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.08
Rot. Bonds2

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

ethyl 4-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperazine-1-carboxylate (PubChem CID 108523595) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is ethyl 4-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperazine-1-carboxylate
PubChem CID108523595
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC Nameethyl 4-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C(=O)N2CCCCC2CC)CC1
InChIInChI=1S/C16H27N3O4/c1-3-13-7-5-6-8-19(13)15(21)14(20)17-9-11-18(12-10-17)16(22)23-4-2/h13H,3-12H2,1-2H3
InChIKeyPPFNYIKGCVTTTN-UHFFFAOYSA-N
XLogP1.08
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.08
H-Bond Donors ≤ 50
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]amino]piperidine-1-carboxylate
CID 108523558
ethyl 4-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]piperazine-1-carboxylate
CID 109029138
1-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide
CID 108523565
ethyl 3-(2-ethylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 134002906
1-(2-ethylpiperidin-1-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 108523573
ethyl 4-(cyclohexanecarbonyl)piperazine-1-carboxylate
CID 750615
(4-ethylpiperazin-1-yl)-(2-ethylpiperidin-1-yl)methanone
CID 108988506
ethyl 4-[4-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 109310228
1-(2-ethylpyrrolidin-1-yl)-2-[3-(hydroxymethyl)azetidin-1-yl]ethane-1,2-dione
CID 102563287
ethyl azacycloundecane-1-carboxylate
CID 67670496
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
tert-butyl (2R)-2-ethylpiperidine-1-carboxylate
CID 45095102

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperazine-1-carboxylate (CID 108523595) is ethyl 4-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C(=O)N2CCCCC2CC)CC1.
What is the InChIKey of ethyl 4-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperazine-1-carboxylate?
The InChIKey is PPFNYIKGCVTTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4/c1-3-13-7-5-6-8-19(13)15(21)14(20)17-9-11-18(12-10-17)16(22)23-4-2/h13H,3-12H2,1-2H3.
What are the key properties of ethyl 4-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperazine-1-carboxylate?
ethyl 4-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperazine-1-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 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]piperazine-1-carboxylate is sourced from PubChem (CID 108523595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).