1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxamide

C11H22N2O3 — CID 123191389

IUPAC1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxamide
SMILESCC(C)(C)OC(O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-6-4-8(5-7-13)9(12)14/h8,10,15H,4-7H2,1-3H3,(H2,12,14)
InChIKeyVKHDPRHIEGDCJE-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.27
Rot. Bonds3

About 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxamide

1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxamide (PubChem CID 123191389) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxamide
PubChem CID123191389
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxamide
SMILESCC(C)(C)OC(O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-6-4-8(5-7-13)9(12)14/h8,10,15H,4-7H2,1-3H3,(H2,12,14)
InChIKeyVKHDPRHIEGDCJE-UHFFFAOYSA-N
XLogP0.27
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxamide (CID 123191389) is 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxamide is CC(C)(C)OC(O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxamide?
The InChIKey is VKHDPRHIEGDCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-6-4-8(5-7-13)9(12)14/h8,10,15H,4-7H2,1-3H3,(H2,12,14).
What are the key properties of 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxamide?
1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 123191389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).