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

C17H31N3O3 — CID 53255622

IUPACtert-butyl 4-(cyclohexylcarbamoylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C17H31N3O3/c1-17(2,3)23-16(22)20-11-9-14(10-12-20)19-15(21)18-13-7-5-4-6-8-13/h13-14H,4-12H2,1-3H3,(H2,18,19,21)
InChIKeyPQAGPSFUMBFYAC-UHFFFAOYSA-N
MW325.45 g/mol
LogP3.02
Rot. Bonds2

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

tert-butyl 4-(cyclohexylcarbamoylamino)piperidine-1-carboxylate (PubChem CID 53255622) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is tert-butyl 4-(cyclohexylcarbamoylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(cyclohexylcarbamoylamino)piperidine-1-carboxylate
PubChem CID53255622
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Nametert-butyl 4-(cyclohexylcarbamoylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C17H31N3O3/c1-17(2,3)23-16(22)20-11-9-14(10-12-20)19-15(21)18-13-7-5-4-6-8-13/h13-14H,4-12H2,1-3H3,(H2,18,19,21)
InChIKeyPQAGPSFUMBFYAC-UHFFFAOYSA-N
XLogP3.02
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(cyclohexylcarbamoylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(cyclohexylcarbamoylamino)piperidine-1-carboxylate (CID 53255622) is tert-butyl 4-(cyclohexylcarbamoylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(cyclohexylcarbamoylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(cyclohexylcarbamoylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC(=O)NC2CCCCC2)CC1.
What is the InChIKey of tert-butyl 4-(cyclohexylcarbamoylamino)piperidine-1-carboxylate?
The InChIKey is PQAGPSFUMBFYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-17(2,3)23-16(22)20-11-9-14(10-12-20)19-15(21)18-13-7-5-4-6-8-13/h13-14H,4-12H2,1-3H3,(H2,18,19,21).
What are the key properties of tert-butyl 4-(cyclohexylcarbamoylamino)piperidine-1-carboxylate?
tert-butyl 4-(cyclohexylcarbamoylamino)piperidine-1-carboxylate has a molecular weight of 325.45 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(cyclohexylcarbamoylamino)piperidine-1-carboxylate is sourced from PubChem (CID 53255622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).