1-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide

C15H25N3O3 — CID 108523565

IUPAC1-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide
SMILESCCC1CCCCN1C(=O)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C15H25N3O3/c1-2-12-5-3-4-8-18(12)15(21)14(20)17-9-6-11(7-10-17)13(16)19/h11-12H,2-10H2,1H3,(H2,16,19)
InChIKeyXGBDIGCCUAFFJM-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.50
Rot. Bonds2

About 1-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide

1-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide (PubChem CID 108523565) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide
PubChem CID108523565
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name1-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide
SMILESCCC1CCCCN1C(=O)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C15H25N3O3/c1-2-12-5-3-4-8-18(12)15(21)14(20)17-9-6-11(7-10-17)13(16)19/h11-12H,2-10H2,1H3,(H2,16,19)
InChIKeyXGBDIGCCUAFFJM-UHFFFAOYSA-N
XLogP0.50
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
1-(2-ethylpiperidin-1-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 108523573
1-(2-ethylpyrrolidin-1-yl)-2-[3-(hydroxymethyl)azetidin-1-yl]ethane-1,2-dione
CID 102563287
3-(2-ethylpiperidin-1-yl)-3-oxopropanethioamide
CID 43266603
1-(2-ethylazepan-1-yl)ethanone
CID 115642380
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
(4-ethylpiperazin-1-yl)-(2-ethylpiperidin-1-yl)methanone
CID 108988506
ethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108523558
1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 113005746
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
2-ethylazepane-1-carbohydrazide
CID 104691127
2-(2-aminocyclohexyl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 55116461

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide (CID 108523565) is 1-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide is CCC1CCCCN1C(=O)C(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide?
The InChIKey is XGBDIGCCUAFFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-2-12-5-3-4-8-18(12)15(21)14(20)17-9-6-11(7-10-17)13(16)19/h11-12H,2-10H2,1H3,(H2,16,19).
What are the key properties of 1-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide?
1-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide is sourced from PubChem (CID 108523565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).