2-cyanopropan-2-yl 4-oxopiperidine-1-carboxylate

C10H14N2O3 — CID 14994957

IUPAC2-cyanopropan-2-yl 4-oxopiperidine-1-carboxylate
SMILESCC(C)(C#N)OC(=O)N1CCC(=O)CC1
InChIInChI=1S/C10H14N2O3/c1-10(2,7-11)15-9(14)12-5-3-8(13)4-6-12/h3-6H2,1-2H3
InChIKeyHEXJEIQYSZGUPF-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.09
Rot. Bonds1

About 2-cyanopropan-2-yl 4-oxopiperidine-1-carboxylate

2-cyanopropan-2-yl 4-oxopiperidine-1-carboxylate (PubChem CID 14994957) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-cyanopropan-2-yl 4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Name2-cyanopropan-2-yl 4-oxopiperidine-1-carboxylate
PubChem CID14994957
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-cyanopropan-2-yl 4-oxopiperidine-1-carboxylate
SMILESCC(C)(C#N)OC(=O)N1CCC(=O)CC1
InChIInChI=1S/C10H14N2O3/c1-10(2,7-11)15-9(14)12-5-3-8(13)4-6-12/h3-6H2,1-2H3
InChIKeyHEXJEIQYSZGUPF-UHFFFAOYSA-N
XLogP1.09
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-oxopiperidine-1-carboxylate;methane
CID 156835039
tert-butyl 4-hydroxy-4-methylpiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate
CID 160805551
ethyl 4-oxopiperidine-1-carboxylate;methane
CID 143127714
tert-butyl 4-methylidenepiperidine-1-carboxylate
CID 2756808
(1-cyano-1-hydroxyethyl) piperidine-1-carboxylate
CID 156636524
1-(2-methoxy-2-methylpropanoyl)piperidin-4-one
CID 103946549
methyl-methylidene-[(4-oxopiperidine-1-carbonyl)oxymethyl]phosphanium
CID 91000082
tert-butyl 4-(1-amino-2-cyanoethylidene)piperidine-1-carboxylate
CID 91417206
butyl 4-oxoazepane-1-carboxylate
CID 23137098
CID 88986772
CID 88986772
2-methyl-3-oxo-3-(4-oxopiperidin-1-yl)propanenitrile
CID 130657533
1-acetylpiperidin-4-one;ethane
CID 91328133

Frequently Asked Questions

What is the IUPAC name of 2-cyanopropan-2-yl 4-oxopiperidine-1-carboxylate?
The IUPAC name of 2-cyanopropan-2-yl 4-oxopiperidine-1-carboxylate (CID 14994957) is 2-cyanopropan-2-yl 4-oxopiperidine-1-carboxylate.
What is the SMILES notation for 2-cyanopropan-2-yl 4-oxopiperidine-1-carboxylate?
The canonical SMILES for 2-cyanopropan-2-yl 4-oxopiperidine-1-carboxylate is CC(C)(C#N)OC(=O)N1CCC(=O)CC1.
What is the InChIKey of 2-cyanopropan-2-yl 4-oxopiperidine-1-carboxylate?
The InChIKey is HEXJEIQYSZGUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-10(2,7-11)15-9(14)12-5-3-8(13)4-6-12/h3-6H2,1-2H3.
What are the key properties of 2-cyanopropan-2-yl 4-oxopiperidine-1-carboxylate?
2-cyanopropan-2-yl 4-oxopiperidine-1-carboxylate has a molecular weight of 210.23 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanopropan-2-yl 4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 14994957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).