tert-butyl 4-(cyclohexylcarbamoyl)piperidine-1-carboxylate;carbonic acid

C18H32N2O6 — CID 22362441

IUPACtert-butyl 4-(cyclohexylcarbamoyl)piperidine-1-carboxylate;carbonic acid
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)NC2CCCCC2)CC1.O=C(O)O
InChIInChI=1S/C17H30N2O3.CH2O3/c1-17(2,3)22-16(21)19-11-9-13(10-12-19)15(20)18-14-7-5-4-6-8-14;2-1(3)4/h13-14H,4-12H2,1-3H3,(H,18,20);(H2,2,3,4)
InChIKeyZBERFYUOBJDJQZ-UHFFFAOYSA-N
MW372.46 g/mol
LogP3.30
Rot. Bonds2

About tert-butyl 4-(cyclohexylcarbamoyl)piperidine-1-carboxylate;carbonic acid

tert-butyl 4-(cyclohexylcarbamoyl)piperidine-1-carboxylate;carbonic acid (PubChem CID 22362441) has the molecular formula C18H32N2O6 and a molecular weight of 372.46 g/mol. Its IUPAC name is tert-butyl 4-(cyclohexylcarbamoyl)piperidine-1-carboxylate;carbonic acid.

Molecular Properties

Compound Nametert-butyl 4-(cyclohexylcarbamoyl)piperidine-1-carboxylate;carbonic acid
PubChem CID22362441
Molecular FormulaC18H32N2O6
Molecular Weight372.46 g/mol
Exact Mass372.23
IUPAC Nametert-butyl 4-(cyclohexylcarbamoyl)piperidine-1-carboxylate;carbonic acid
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)NC2CCCCC2)CC1.O=C(O)O
InChIInChI=1S/C17H30N2O3.CH2O3/c1-17(2,3)22-16(21)19-11-9-13(10-12-19)15(20)18-14-7-5-4-6-8-14;2-1(3)4/h13-14H,4-12H2,1-3H3,(H,18,20);(H2,2,3,4)
InChIKeyZBERFYUOBJDJQZ-UHFFFAOYSA-N
XLogP3.30
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(cyclohexylcarbamoyl)piperidine-1-carboxylate;carbonic acid?
The IUPAC name of tert-butyl 4-(cyclohexylcarbamoyl)piperidine-1-carboxylate;carbonic acid (CID 22362441) is tert-butyl 4-(cyclohexylcarbamoyl)piperidine-1-carboxylate;carbonic acid.
What is the SMILES notation for tert-butyl 4-(cyclohexylcarbamoyl)piperidine-1-carboxylate;carbonic acid?
The canonical SMILES for tert-butyl 4-(cyclohexylcarbamoyl)piperidine-1-carboxylate;carbonic acid is CC(C)(C)OC(=O)N1CCC(C(=O)NC2CCCCC2)CC1.O=C(O)O.
What is the InChIKey of tert-butyl 4-(cyclohexylcarbamoyl)piperidine-1-carboxylate;carbonic acid?
The InChIKey is ZBERFYUOBJDJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3.CH2O3/c1-17(2,3)22-16(21)19-11-9-13(10-12-19)15(20)18-14-7-5-4-6-8-14;2-1(3)4/h13-14H,4-12H2,1-3H3,(H,18,20);(H2,2,3,4).
What are the key properties of tert-butyl 4-(cyclohexylcarbamoyl)piperidine-1-carboxylate;carbonic acid?
tert-butyl 4-(cyclohexylcarbamoyl)piperidine-1-carboxylate;carbonic acid has a molecular weight of 372.46 g/mol, XLogP of 3.30, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(cyclohexylcarbamoyl)piperidine-1-carboxylate;carbonic acid is sourced from PubChem (CID 22362441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).