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

C13H22N2O4 — CID 63123868

IUPAC1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)N2CCC(O)CC2)CC1
InChIInChI=1S/C13H22N2O4/c1-13(11(17)18)4-8-15(9-5-13)12(19)14-6-2-10(16)3-7-14/h10,16H,2-9H2,1H3,(H,17,18)
InChIKeyPGKGUVCEOLTEEK-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.75
Rot. Bonds1

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

1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 63123868) 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-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
PubChem CID63123868
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)N2CCC(O)CC2)CC1
InChIInChI=1S/C13H22N2O4/c1-13(11(17)18)4-8-15(9-5-13)12(19)14-6-2-10(16)3-7-14/h10,16H,2-9H2,1H3,(H,17,18)
InChIKeyPGKGUVCEOLTEEK-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)-3-methylpyrrolidine-3-carboxylic acid
CID 55166354
4-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 55177179
1-(3-aminopyrrolidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 55176605
4-methyl-1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxylic acid
CID 63123499
1-[4-(dimethylamino)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149105
1-(4-hydroxypiperidine-1-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709982
1-(3-aminopiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63124373
(4-hydroxypiperidin-1-yl)-(4-methylpiperidin-1-yl)methanone
CID 58959877
1-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146888
1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146890
(4-hydroxypiperidin-1-yl)-pyrrolidin-1-ylmethanone
CID 112725643
4-methyl-1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 55177373

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid (CID 63123868) is 1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)N2CCC(O)CC2)CC1.
What is the InChIKey of 1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is PGKGUVCEOLTEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-13(11(17)18)4-8-15(9-5-13)12(19)14-6-2-10(16)3-7-14/h10,16H,2-9H2,1H3,(H,17,18).
What are the key properties of 1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid?
1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-4-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-4-carboxylic acid is sourced from PubChem (CID 63123868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).