tert-butyl 4-[cyclohexyl(2-ethylbutanoyl)amino]piperidine-1-carboxylate

C22H40N2O3 — CID 69349279

IUPACtert-butyl 4-[cyclohexyl(2-ethylbutanoyl)amino]piperidine-1-carboxylate
SMILESCCC(CC)C(=O)N(C1CCCCC1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C22H40N2O3/c1-6-17(7-2)20(25)24(18-11-9-8-10-12-18)19-13-15-23(16-14-19)21(26)27-22(3,4)5/h17-19H,6-16H2,1-5H3
InChIKeyXLHIULVHQCXYEF-UHFFFAOYSA-N
MW380.57 g/mol
LogP4.98
Rot. Bonds5

About tert-butyl 4-[cyclohexyl(2-ethylbutanoyl)amino]piperidine-1-carboxylate

tert-butyl 4-[cyclohexyl(2-ethylbutanoyl)amino]piperidine-1-carboxylate (PubChem CID 69349279) has the molecular formula C22H40N2O3 and a molecular weight of 380.57 g/mol. Its IUPAC name is tert-butyl 4-[cyclohexyl(2-ethylbutanoyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[cyclohexyl(2-ethylbutanoyl)amino]piperidine-1-carboxylate
PubChem CID69349279
Molecular FormulaC22H40N2O3
Molecular Weight380.57 g/mol
Exact Mass380.30
IUPAC Nametert-butyl 4-[cyclohexyl(2-ethylbutanoyl)amino]piperidine-1-carboxylate
SMILESCCC(CC)C(=O)N(C1CCCCC1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C22H40N2O3/c1-6-17(7-2)20(25)24(18-11-9-8-10-12-18)19-13-15-23(16-14-19)21(26)27-22(3,4)5/h17-19H,6-16H2,1-5H3
InChIKeyXLHIULVHQCXYEF-UHFFFAOYSA-N
XLogP4.98
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.57
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[cyclohexyl(2-ethylbutanoyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[cyclohexyl(2-ethylbutanoyl)amino]piperidine-1-carboxylate (CID 69349279) is tert-butyl 4-[cyclohexyl(2-ethylbutanoyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[cyclohexyl(2-ethylbutanoyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[cyclohexyl(2-ethylbutanoyl)amino]piperidine-1-carboxylate is CCC(CC)C(=O)N(C1CCCCC1)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[cyclohexyl(2-ethylbutanoyl)amino]piperidine-1-carboxylate?
The InChIKey is XLHIULVHQCXYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O3/c1-6-17(7-2)20(25)24(18-11-9-8-10-12-18)19-13-15-23(16-14-19)21(26)27-22(3,4)5/h17-19H,6-16H2,1-5H3.
What are the key properties of tert-butyl 4-[cyclohexyl(2-ethylbutanoyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[cyclohexyl(2-ethylbutanoyl)amino]piperidine-1-carboxylate has a molecular weight of 380.57 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[cyclohexyl(2-ethylbutanoyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 69349279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).