methyl 1-acetyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate

C14H24N2O5 — CID 59614730

IUPACmethyl 1-acetyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate
SMILESCOC(=O)C1(NC(=O)OC(C)(C)C)CCN(C(C)=O)CC1
InChIInChI=1S/C14H24N2O5/c1-10(17)16-8-6-14(7-9-16,11(18)20-5)15-12(19)21-13(2,3)4/h6-9H2,1-5H3,(H,15,19)
InChIKeyUHWSKBVNIQKNHD-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.07
Rot. Bonds2

About methyl 1-acetyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate

methyl 1-acetyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate (PubChem CID 59614730) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is methyl 1-acetyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-acetyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate
PubChem CID59614730
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Namemethyl 1-acetyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate
SMILESCOC(=O)C1(NC(=O)OC(C)(C)C)CCN(C(C)=O)CC1
InChIInChI=1S/C14H24N2O5/c1-10(17)16-8-6-14(7-9-16,11(18)20-5)15-12(19)21-13(2,3)4/h6-9H2,1-5H3,(H,15,19)
InChIKeyUHWSKBVNIQKNHD-UHFFFAOYSA-N
XLogP1.07
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-acetyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate?
The IUPAC name of methyl 1-acetyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate (CID 59614730) is methyl 1-acetyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-acetyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-acetyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate is COC(=O)C1(NC(=O)OC(C)(C)C)CCN(C(C)=O)CC1.
What is the InChIKey of methyl 1-acetyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate?
The InChIKey is UHWSKBVNIQKNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-10(17)16-8-6-14(7-9-16,11(18)20-5)15-12(19)21-13(2,3)4/h6-9H2,1-5H3,(H,15,19).
What are the key properties of methyl 1-acetyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate?
methyl 1-acetyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-acetyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate is sourced from PubChem (CID 59614730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).