1-(cyclohexanecarbonyl)-4-hydroxypiperidine-4-carboxylic acid

C13H21NO4 — CID 119250882

IUPAC1-(cyclohexanecarbonyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(C1CCCCC1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C13H21NO4/c15-11(10-4-2-1-3-5-10)14-8-6-13(18,7-9-14)12(16)17/h10,18H,1-9H2,(H,16,17)
InChIKeyCGBNWQOWGNDGQT-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.00
Rot. Bonds2

About 1-(cyclohexanecarbonyl)-4-hydroxypiperidine-4-carboxylic acid

1-(cyclohexanecarbonyl)-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 119250882) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-(cyclohexanecarbonyl)-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(cyclohexanecarbonyl)-4-hydroxypiperidine-4-carboxylic acid
PubChem CID119250882
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name1-(cyclohexanecarbonyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(C1CCCCC1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C13H21NO4/c15-11(10-4-2-1-3-5-10)14-8-6-13(18,7-9-14)12(16)17/h10,18H,1-9H2,(H,16,17)
InChIKeyCGBNWQOWGNDGQT-UHFFFAOYSA-N
XLogP1.00
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

aziridin-1-yl(cyclohexyl)methanone
CID 2309619
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
1-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 120691009
1-(cyclohexanecarbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166325
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
1-cycloheptyl-4-hydroxypiperidine-4-carboxylic acid
CID 115055583
4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120691002
4-hydroxy-1-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]piperidine-4-carboxylic acid
CID 120528073
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
cyclobutyl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
CID 122243092
cyclopropyl-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]methanone
CID 80702617

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-(cyclohexanecarbonyl)-4-hydroxypiperidine-4-carboxylic acid (CID 119250882) is 1-(cyclohexanecarbonyl)-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(cyclohexanecarbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-(cyclohexanecarbonyl)-4-hydroxypiperidine-4-carboxylic acid is O=C(C1CCCCC1)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 1-(cyclohexanecarbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is CGBNWQOWGNDGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c15-11(10-4-2-1-3-5-10)14-8-6-13(18,7-9-14)12(16)17/h10,18H,1-9H2,(H,16,17).
What are the key properties of 1-(cyclohexanecarbonyl)-4-hydroxypiperidine-4-carboxylic acid?
1-(cyclohexanecarbonyl)-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarbonyl)-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 119250882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).