ethyl 2-(2-carbamoylpiperidine-1-carbonyl)-3,3-dimethylbutanoate

C15H26N2O4 — CID 116537911

IUPACethyl 2-(2-carbamoylpiperidine-1-carbonyl)-3,3-dimethylbutanoate
SMILESCCOC(=O)C(C(=O)N1CCCCC1C(N)=O)C(C)(C)C
InChIInChI=1S/C15H26N2O4/c1-5-21-14(20)11(15(2,3)4)13(19)17-9-7-6-8-10(17)12(16)18/h10-11H,5-9H2,1-4H3,(H2,16,18)
InChIKeyWGMWGGRNBYZTHI-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.08
Rot. Bonds4

About ethyl 2-(2-carbamoylpiperidine-1-carbonyl)-3,3-dimethylbutanoate

ethyl 2-(2-carbamoylpiperidine-1-carbonyl)-3,3-dimethylbutanoate (PubChem CID 116537911) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is ethyl 2-(2-carbamoylpiperidine-1-carbonyl)-3,3-dimethylbutanoate.

Molecular Properties

Compound Nameethyl 2-(2-carbamoylpiperidine-1-carbonyl)-3,3-dimethylbutanoate
PubChem CID116537911
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Nameethyl 2-(2-carbamoylpiperidine-1-carbonyl)-3,3-dimethylbutanoate
SMILESCCOC(=O)C(C(=O)N1CCCCC1C(N)=O)C(C)(C)C
InChIInChI=1S/C15H26N2O4/c1-5-21-14(20)11(15(2,3)4)13(19)17-9-7-6-8-10(17)12(16)18/h10-11H,5-9H2,1-4H3,(H2,16,18)
InChIKeyWGMWGGRNBYZTHI-UHFFFAOYSA-N
XLogP1.08
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.08
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

1-(2-amino-3,3-dimethylbutanoyl)piperidine-2-carboxamide
CID 76894481
ethyl 2-(2,3-dimethylpiperidine-1-carbonyl)-3,3-dimethylbutanoate
CID 116537998
1-(2-methylpropanoyl)piperidine-2-carboxamide
CID 60717227
ethyl 1-[(2R)-2-amino-3,3-dimethylbutanoyl]piperidine-2-carboxylate
CID 103929382
butane;molecular hydrogen;(2S)-1-[(2S)-2,3,3-trimethylbutanoyl]pyrrolidine-2-carboxamide
CID 143355463
ethyl 2-(azepane-1-carbonyl)-3,3-dimethylbutanoate
CID 116537599
ethyl 2-(azocane-1-carbonyl)-3,3-dimethylbutanoate
CID 116537712
ethyl 2-(2,5-dimethylpiperidine-1-carbonyl)-3,3-dimethylbutanoate
CID 116538153
1-(2-bromobutanoyl)piperidine-2-carboxamide
CID 62854478
1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide
CID 123334785
1-(3-methyl-2-sulfanylbutanoyl)piperidine-2-carboxamide
CID 107026089
(2S)-1-[(2S)-2-hydroxypropanoyl]piperidine-2-carboxamide
CID 173098418

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-carbamoylpiperidine-1-carbonyl)-3,3-dimethylbutanoate?
The IUPAC name of ethyl 2-(2-carbamoylpiperidine-1-carbonyl)-3,3-dimethylbutanoate (CID 116537911) is ethyl 2-(2-carbamoylpiperidine-1-carbonyl)-3,3-dimethylbutanoate.
What is the SMILES notation for ethyl 2-(2-carbamoylpiperidine-1-carbonyl)-3,3-dimethylbutanoate?
The canonical SMILES for ethyl 2-(2-carbamoylpiperidine-1-carbonyl)-3,3-dimethylbutanoate is CCOC(=O)C(C(=O)N1CCCCC1C(N)=O)C(C)(C)C.
What is the InChIKey of ethyl 2-(2-carbamoylpiperidine-1-carbonyl)-3,3-dimethylbutanoate?
The InChIKey is WGMWGGRNBYZTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-5-21-14(20)11(15(2,3)4)13(19)17-9-7-6-8-10(17)12(16)18/h10-11H,5-9H2,1-4H3,(H2,16,18).
What are the key properties of ethyl 2-(2-carbamoylpiperidine-1-carbonyl)-3,3-dimethylbutanoate?
ethyl 2-(2-carbamoylpiperidine-1-carbonyl)-3,3-dimethylbutanoate has a molecular weight of 298.38 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-carbamoylpiperidine-1-carbonyl)-3,3-dimethylbutanoate is sourced from PubChem (CID 116537911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).