4-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate

C12H19N2O5- — CID 170984607

IUPAC4-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(N)=O)(C(=O)[O-])CC1
InChIInChI=1S/C12H20N2O5/c1-11(2,3)19-10(18)14-6-4-12(5-7-14,8(13)15)9(16)17/h4-7H2,1-3H3,(H2,13,15)(H,16,17)/p-1
InChIKeyAYWNRLBKSPYHIW-UHFFFAOYSA-M
MW271.29 g/mol
LogP-0.76
Rot. Bonds2

About 4-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate

4-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate (PubChem CID 170984607) has the molecular formula C12H19N2O5- and a molecular weight of 271.29 g/mol. Its IUPAC name is 4-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Name4-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate
PubChem CID170984607
Molecular FormulaC12H19N2O5-
Molecular Weight271.29 g/mol
Exact Mass271.13
IUPAC Name4-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(N)=O)(C(=O)[O-])CC1
InChIInChI=1S/C12H20N2O5/c1-11(2,3)19-10(18)14-6-4-12(5-7-14,8(13)15)9(16)17/h4-7H2,1-3H3,(H2,13,15)(H,16,17)/p-1
InChIKeyAYWNRLBKSPYHIW-UHFFFAOYSA-M
XLogP-0.76
TPSA112.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate?
The IUPAC name of 4-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate (CID 170984607) is 4-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate.
What is the SMILES notation for 4-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate?
The canonical SMILES for 4-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate is CC(C)(C)OC(=O)N1CCC(C(N)=O)(C(=O)[O-])CC1.
What is the InChIKey of 4-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate?
The InChIKey is AYWNRLBKSPYHIW-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H20N2O5/c1-11(2,3)19-10(18)14-6-4-12(5-7-14,8(13)15)9(16)17/h4-7H2,1-3H3,(H2,13,15)(H,16,17)/p-1.
What are the key properties of 4-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate?
4-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate has a molecular weight of 271.29 g/mol, XLogP of -0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 170984607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).