1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid

C13H22N2O4 — CID 114425171

IUPAC1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)N2CCC(O)CC2)C(C(=O)O)C1
InChIInChI=1S/C13H22N2O4/c1-9-2-7-15(11(8-9)12(17)18)13(19)14-5-3-10(16)4-6-14/h9-11,16H,2-8H2,1H3,(H,17,18)
InChIKeyGLUKDXGEVAOQLH-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.75
Rot. Bonds1

About 1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid

1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid (PubChem CID 114425171) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
PubChem CID114425171
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)N2CCC(O)CC2)C(C(=O)O)C1
InChIInChI=1S/C13H22N2O4/c1-9-2-7-15(11(8-9)12(17)18)13(19)14-5-3-10(16)4-6-14/h9-11,16H,2-8H2,1H3,(H,17,18)
InChIKeyGLUKDXGEVAOQLH-UHFFFAOYSA-N
XLogP0.75
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxypyrrolidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425542
4-methyl-1-(4-methylazepane-1-carbonyl)piperidine-2-carboxylic acid
CID 114425581
1-(4-methoxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425244
(2S,4S)-4-hydroxy-1-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 64714272
4-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)piperidine-2-carboxylic acid
CID 114425695
(2S,4S)-4-hydroxy-1-(4-methylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 64713242
4-hydroxy-1-(4-methylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 63625992
(4-hydroxypiperidin-1-yl)-(4-methylpiperidin-1-yl)methanone
CID 58959877
4-methyl-1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidine-2-carboxylic acid
CID 106315704
1-(4-methylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 63627584
4-methyl-1-(2-methylazepane-1-carbonyl)piperidine-2-carboxylic acid
CID 114425614
1-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425408

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid (CID 114425171) is 1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid is CC1CCN(C(=O)N2CCC(O)CC2)C(C(=O)O)C1.
What is the InChIKey of 1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid?
The InChIKey is GLUKDXGEVAOQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-9-2-7-15(11(8-9)12(17)18)13(19)14-5-3-10(16)4-6-14/h9-11,16H,2-8H2,1H3,(H,17,18).
What are the key properties of 1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid?
1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114425171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).