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

C12H22N2O3 — CID 2757240

IUPACtert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate
SMILESCNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)17-11(16)14-7-5-9(6-8-14)10(15)13-4/h9H,5-8H2,1-4H3,(H,13,15)
InChIKeyWPKSHDLVXHJHKV-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.38
Rot. Bonds1

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

tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate (PubChem CID 2757240) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate
PubChem CID2757240
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate
SMILESCNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)17-11(16)14-7-5-9(6-8-14)10(15)13-4/h9H,5-8H2,1-4H3,(H,13,15)
InChIKeyWPKSHDLVXHJHKV-UHFFFAOYSA-N
XLogP1.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate (CID 2757240) is tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate is CNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is WPKSHDLVXHJHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)17-11(16)14-7-5-9(6-8-14)10(15)13-4/h9H,5-8H2,1-4H3,(H,13,15).
What are the key properties of tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate?
tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 2757240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).