methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate

C12H22N2O3 — CID 648128

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

About methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate

methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate (PubChem CID 648128) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate
PubChem CID648128
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)13-11(16)14-7-5-9(6-8-14)10(15)17-4/h9H,5-8H2,1-4H3,(H,13,16)
InChIKeyYNDIZCMKDPECRX-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 methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate (CID 648128) is methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)NC(C)(C)C)CC1.
What is the InChIKey of methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate?
The InChIKey is YNDIZCMKDPECRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)13-11(16)14-7-5-9(6-8-14)10(15)17-4/h9H,5-8H2,1-4H3,(H,13,16).
What are the key properties of methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate?
methyl 1-(tert-butylcarbamoyl)piperidine-4-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 methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 648128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).