4-(2-oxopiperidin-1-yl)piperidine-4-carboxylic acid

C11H18N2O3 — CID 14338263

IUPAC4-(2-oxopiperidin-1-yl)piperidine-4-carboxylic acid
SMILESO=C1CCCCN1C1(C(=O)O)CCNCC1
InChIInChI=1S/C11H18N2O3/c14-9-3-1-2-8-13(9)11(10(15)16)4-6-12-7-5-11/h12H,1-8H2,(H,15,16)
InChIKeyPJKGYPHIMCGVHM-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.21
Rot. Bonds2

About 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylic acid

4-(2-oxopiperidin-1-yl)piperidine-4-carboxylic acid (PubChem CID 14338263) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(2-oxopiperidin-1-yl)piperidine-4-carboxylic acid
PubChem CID14338263
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name4-(2-oxopiperidin-1-yl)piperidine-4-carboxylic acid
SMILESO=C1CCCCN1C1(C(=O)O)CCNCC1
InChIInChI=1S/C11H18N2O3/c14-9-3-1-2-8-13(9)11(10(15)16)4-6-12-7-5-11/h12H,1-8H2,(H,15,16)
InChIKeyPJKGYPHIMCGVHM-UHFFFAOYSA-N
XLogP0.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Piperidin-1-yl)piperidine-4-carboxylic acid
CID 22185355
4-(Piperazin-1-yl)piperidine-4-carboxylic acid
CID 61242816
4-(Dimethylamino)piperidine-4-carboxylic acid
CID 6484276
4-(Ethoxycarbonyl)-4-(2-oxopiperidino)piperidine
CID 11010525
Methyl 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylate
CID 18314255
1-Ethyl-4-(ethylamino)piperidine-4-carboxylic acid
CID 20622562
1-(Piperidine-4-carbonyl)piperidine-4-carboxylic acid
CID 21892261
1-(Piperidine-4-carbonyl)piperidine-2-carboxylic acid
CID 21892272
1-(Piperidine-2-carbonyl)piperidine-4-carboxylic acid
CID 22646452
1-Methyl-4-(methylamino)piperidine-4-carboxylic acid
CID 22981949
4-(Ethylamino)-1-methylpiperidine-4-carboxylic acid
CID 43753860
1-(4-Carboxypiperidin-4-yl)piperidine-2-carboxylic acid
CID 57143498

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylic acid (CID 14338263) is 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylic acid is O=C1CCCCN1C1(C(=O)O)CCNCC1.
What is the InChIKey of 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylic acid?
The InChIKey is PJKGYPHIMCGVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-9-3-1-2-8-13(9)11(10(15)16)4-6-12-7-5-11/h12H,1-8H2,(H,15,16).
What are the key properties of 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylic acid?
4-(2-oxopiperidin-1-yl)piperidine-4-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 14338263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).