tert-butyl 4-(cyclohexylcarbamoyl)piperidine-1-carboxylate

C17H30N2O3 — CID 4273089

IUPACtert-butyl 4-(cyclohexylcarbamoyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C17H30N2O3/c1-17(2,3)22-16(21)19-11-9-13(10-12-19)15(20)18-14-7-5-4-6-8-14/h13-14H,4-12H2,1-3H3,(H,18,20)
InChIKeyOEEDGPOGQAXRRH-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.08
Rot. Bonds2

About tert-butyl 4-(cyclohexylcarbamoyl)piperidine-1-carboxylate

tert-butyl 4-(cyclohexylcarbamoyl)piperidine-1-carboxylate (PubChem CID 4273089) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is tert-butyl 4-(cyclohexylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(cyclohexylcarbamoyl)piperidine-1-carboxylate
PubChem CID4273089
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Nametert-butyl 4-(cyclohexylcarbamoyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C17H30N2O3/c1-17(2,3)22-16(21)19-11-9-13(10-12-19)15(20)18-14-7-5-4-6-8-14/h13-14H,4-12H2,1-3H3,(H,18,20)
InChIKeyOEEDGPOGQAXRRH-UHFFFAOYSA-N
XLogP3.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(cyclohexylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(cyclohexylcarbamoyl)piperidine-1-carboxylate (CID 4273089) is tert-butyl 4-(cyclohexylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(cyclohexylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(cyclohexylcarbamoyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of tert-butyl 4-(cyclohexylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is OEEDGPOGQAXRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-17(2,3)22-16(21)19-11-9-13(10-12-19)15(20)18-14-7-5-4-6-8-14/h13-14H,4-12H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl 4-(cyclohexylcarbamoyl)piperidine-1-carboxylate?
tert-butyl 4-(cyclohexylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 310.44 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(cyclohexylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 4273089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).