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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Related Compounds

1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxylic acid
CID 154475897
1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-N-methoxy-N-methylpiperidine-4-carboxamide
CID 123219754
(R)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol
CID 142812058
1-[hydroxy(2,5,5-trimethylhexan-2-yloxy)methyl]piperidine-4-carboxylic acid
CID 123659569
1-(1-methoxy-2-oxopropyl)piperidine-4-carboxamide
CID 57205109
(3-aminopiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol
CID 77442311
tert-butyl 2-[4-(methylcarbamoyl)piperidin-1-yl]propanoate
CID 64687530
tert-butyl 4-carbamothioylpiperidine-1-carboxylate;tert-butyl 4-carbamoylpiperidine-1-carboxylate;methane
CID 158536482
2-(4-carbamoylpiperidin-1-yl)-3-methylbutanoyl chloride
CID 82041829
(4-bromo-2-fluorophenyl)-[1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidin-3-yl]methanone
CID 176849358
tert-butyl N-[1-(4-carbamoylpiperidin-1-yl)-1-oxopropan-2-yl]carbamate
CID 24688681
1-[(R)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]azetidin-3-one
CID 177198291

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).