tert-butyl 4-(1-cyano-2-oxopropyl)-4-methylpiperidine-1-carboxylate

C15H24N2O3 — CID 118447523

IUPACtert-butyl 4-(1-cyano-2-oxopropyl)-4-methylpiperidine-1-carboxylate
SMILESCC(=O)C(C#N)C1(C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H24N2O3/c1-11(18)12(10-16)15(5)6-8-17(9-7-15)13(19)20-14(2,3)4/h12H,6-9H2,1-5H3
InChIKeyUAONGNNCILHFPC-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.75
Rot. Bonds2

About tert-butyl 4-(1-cyano-2-oxopropyl)-4-methylpiperidine-1-carboxylate

tert-butyl 4-(1-cyano-2-oxopropyl)-4-methylpiperidine-1-carboxylate (PubChem CID 118447523) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl 4-(1-cyano-2-oxopropyl)-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-cyano-2-oxopropyl)-4-methylpiperidine-1-carboxylate
PubChem CID118447523
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nametert-butyl 4-(1-cyano-2-oxopropyl)-4-methylpiperidine-1-carboxylate
SMILESCC(=O)C(C#N)C1(C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H24N2O3/c1-11(18)12(10-16)15(5)6-8-17(9-7-15)13(19)20-14(2,3)4/h12H,6-9H2,1-5H3
InChIKeyUAONGNNCILHFPC-UHFFFAOYSA-N
XLogP2.75
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-cyano-4-methylpiperidine-1-carboxylate
CID 46835621
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 142839957
tert-butyl 4-methyl-4-(methylcarbamoyl)piperidine-1-carboxylate
CID 121418713
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-4-methylpiperidine-1-carboxylate
CID 156751745
tert-butyl 4,4-dimethylazepane-1-carboxylate
CID 65286456
tert-butyl 4-carbonofluoridoyl-4-methylpiperidine-1-carboxylate
CID 145108017
tert-butyl (4S)-4-(2-cyano-4,4-dimethyl-3-oxopentyl)-4-methylazepane-1-carboxylate
CID 135194479
tert-butyl 4-cyano-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 136590338
tert-butyl 9-(2-cyanoacetyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 122145688
tert-butyl 2-amino-2-cyano-7-azaspiro[3.5]nonane-7-carboxylate
CID 137433030

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-cyano-2-oxopropyl)-4-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-cyano-2-oxopropyl)-4-methylpiperidine-1-carboxylate (CID 118447523) is tert-butyl 4-(1-cyano-2-oxopropyl)-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-cyano-2-oxopropyl)-4-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-cyano-2-oxopropyl)-4-methylpiperidine-1-carboxylate is CC(=O)C(C#N)C1(C)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(1-cyano-2-oxopropyl)-4-methylpiperidine-1-carboxylate?
The InChIKey is UAONGNNCILHFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11(18)12(10-16)15(5)6-8-17(9-7-15)13(19)20-14(2,3)4/h12H,6-9H2,1-5H3.
What are the key properties of tert-butyl 4-(1-cyano-2-oxopropyl)-4-methylpiperidine-1-carboxylate?
tert-butyl 4-(1-cyano-2-oxopropyl)-4-methylpiperidine-1-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-cyano-2-oxopropyl)-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 118447523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).