tert-butyl 4-cyclohexyl-4-(2-oxoethyl)piperidine-1-carboxylate

C18H31NO3 — CID 21018688

IUPACtert-butyl 4-cyclohexyl-4-(2-oxoethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC=O)(C2CCCCC2)CC1
InChIInChI=1S/C18H31NO3/c1-17(2,3)22-16(21)19-12-9-18(10-13-19,11-14-20)15-7-5-4-6-8-15/h14-15H,4-13H2,1-3H3
InChIKeySBLISRMHSUAFBX-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.17
Rot. Bonds3

About tert-butyl 4-cyclohexyl-4-(2-oxoethyl)piperidine-1-carboxylate

tert-butyl 4-cyclohexyl-4-(2-oxoethyl)piperidine-1-carboxylate (PubChem CID 21018688) has the molecular formula C18H31NO3 and a molecular weight of 309.45 g/mol. Its IUPAC name is tert-butyl 4-cyclohexyl-4-(2-oxoethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-cyclohexyl-4-(2-oxoethyl)piperidine-1-carboxylate
PubChem CID21018688
Molecular FormulaC18H31NO3
Molecular Weight309.45 g/mol
Exact Mass309.23
IUPAC Nametert-butyl 4-cyclohexyl-4-(2-oxoethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC=O)(C2CCCCC2)CC1
InChIInChI=1S/C18H31NO3/c1-17(2,3)22-16(21)19-12-9-18(10-13-19,11-14-20)15-7-5-4-6-8-15/h14-15H,4-13H2,1-3H3
InChIKeySBLISRMHSUAFBX-UHFFFAOYSA-N
XLogP4.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl 4-(4-oxobutyl)piperidine-1-carboxylate
CID 10777405
tert-Butyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate
CID 51072194
tert-Butyl 3-(3-oxopropyl)piperidine-1-carboxylate
CID 58091405
Tert-butyl 7-oxo-2-azaspiro(5.5)undecane-2-carboxylate
CID 83680095
Tert-butyl 1-formyl-6-azaspiro(2.5)octane-6-carboxylate
CID 84701380
1,1-Dimethylethyl 4-(1,1-dimethyl-2-oxoethyl)-1-piperidinecarboxylate
CID 90825810
Tert-butyl 2-formyl-8-azaspiro(4.5)decane-8-carboxylate
CID 117886823
Tert-butyl 3-formyl-4,4-dimethylpiperidine-1-carboxylate
CID 137964377
Tert-butyl 1-formyl-3-azabicyclo[3.3.1]nonane-3-carboxylate
CID 154576927
tert-Butyl 8-oxo-3-azaspiro[5.5]undecane-3-carboxylate
CID 135396462
rac-tert-butyl (4aR,8aR)-4a-formyl-decahydroquinoline-1-carboxylate
CID 137944978
Tert-butyl 5-formyl-7-azaspiro[3.5]nonane-7-carboxylate
CID 137952343

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-cyclohexyl-4-(2-oxoethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-cyclohexyl-4-(2-oxoethyl)piperidine-1-carboxylate (CID 21018688) is tert-butyl 4-cyclohexyl-4-(2-oxoethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-cyclohexyl-4-(2-oxoethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-cyclohexyl-4-(2-oxoethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CC=O)(C2CCCCC2)CC1.
What is the InChIKey of tert-butyl 4-cyclohexyl-4-(2-oxoethyl)piperidine-1-carboxylate?
The InChIKey is SBLISRMHSUAFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO3/c1-17(2,3)22-16(21)19-12-9-18(10-13-19,11-14-20)15-7-5-4-6-8-15/h14-15H,4-13H2,1-3H3.
What are the key properties of tert-butyl 4-cyclohexyl-4-(2-oxoethyl)piperidine-1-carboxylate?
tert-butyl 4-cyclohexyl-4-(2-oxoethyl)piperidine-1-carboxylate has a molecular weight of 309.45 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-cyclohexyl-4-(2-oxoethyl)piperidine-1-carboxylate is sourced from PubChem (CID 21018688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).