1-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-ium-4-carboxylate

C13H22N2O3 — CID 39356996

IUPAC1-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-ium-4-carboxylate
SMILESO=C([O-])C1CC[NH+](CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C13H22N2O3/c16-12(15-6-2-1-3-7-15)10-14-8-4-11(5-9-14)13(17)18/h11H,1-10H2,(H,17,18)
InChIKeyRHTWIQJNENNZKP-UHFFFAOYSA-N
MW254.33 g/mol
LogP-1.96
Rot. Bonds3

About 1-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-ium-4-carboxylate

1-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-ium-4-carboxylate (PubChem CID 39356996) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-ium-4-carboxylate.

Molecular Properties

Compound Name1-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-ium-4-carboxylate
PubChem CID39356996
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-ium-4-carboxylate
SMILESO=C([O-])C1CC[NH+](CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C13H22N2O3/c16-12(15-6-2-1-3-7-15)10-14-8-4-11(5-9-14)13(17)18/h11H,1-10H2,(H,17,18)
InChIKeyRHTWIQJNENNZKP-UHFFFAOYSA-N
XLogP-1.96
TPSA64.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-1.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-morpholin-4-yl-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)ethanone
CID 7437012
1-(azepan-1-yl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanone
CID 7435572
cyclotetradecanecarboxylate
CID 140590492
1-propylpiperidin-1-ium-4-carboxylate
CID 26667114
tris(cyclohexanecarboxylate);neodymium(3+)
CID 21259897
cycloheptanecarboxylate;thallium(1+)
CID 22604442
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
1,3-bis(azepan-1-yl)propane-1,3-dione
CID 108952660
1-(azepan-1-yl)-2-nitroethanone
CID 108814389
2-nitro-1-piperidin-1-ylethanone
CID 12624440
(3S)-1-acetylpiperidine-3-carboxylate
CID 7131083
CID 171703364
CID 171703364

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-ium-4-carboxylate?
The IUPAC name of 1-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-ium-4-carboxylate (CID 39356996) is 1-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-ium-4-carboxylate.
What is the SMILES notation for 1-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-ium-4-carboxylate?
The canonical SMILES for 1-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-ium-4-carboxylate is O=C([O-])C1CC[NH+](CC(=O)N2CCCCC2)CC1.
What is the InChIKey of 1-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-ium-4-carboxylate?
The InChIKey is RHTWIQJNENNZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-12(15-6-2-1-3-7-15)10-14-8-4-11(5-9-14)13(17)18/h11H,1-10H2,(H,17,18).
What are the key properties of 1-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-ium-4-carboxylate?
1-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-ium-4-carboxylate has a molecular weight of 254.33 g/mol, XLogP of -1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-ium-4-carboxylate is sourced from PubChem (CID 39356996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).