5-[2-(methylcarbamoyl)piperidine-1-carbonyl]oxolane-2-carboxylic acid

C13H20N2O5 — CID 102688135

IUPAC5-[2-(methylcarbamoyl)piperidine-1-carbonyl]oxolane-2-carboxylic acid
SMILESCNC(=O)C1CCCCN1C(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C13H20N2O5/c1-14-11(16)8-4-2-3-7-15(8)12(17)9-5-6-10(20-9)13(18)19/h8-10H,2-7H2,1H3,(H,14,16)(H,18,19)
InChIKeyFINHTMGLPMQWQB-UHFFFAOYSA-N
MW284.31 g/mol
LogP-0.25
Rot. Bonds3

About 5-[2-(methylcarbamoyl)piperidine-1-carbonyl]oxolane-2-carboxylic acid

5-[2-(methylcarbamoyl)piperidine-1-carbonyl]oxolane-2-carboxylic acid (PubChem CID 102688135) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 5-[2-(methylcarbamoyl)piperidine-1-carbonyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(methylcarbamoyl)piperidine-1-carbonyl]oxolane-2-carboxylic acid
PubChem CID102688135
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name5-[2-(methylcarbamoyl)piperidine-1-carbonyl]oxolane-2-carboxylic acid
SMILESCNC(=O)C1CCCCN1C(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C13H20N2O5/c1-14-11(16)8-4-2-3-7-15(8)12(17)9-5-6-10(20-9)13(18)19/h8-10H,2-7H2,1H3,(H,14,16)(H,18,19)
InChIKeyFINHTMGLPMQWQB-UHFFFAOYSA-N
XLogP-0.25
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5S)-5-[3-(methylcarbamoyl)morpholine-4-carbonyl]oxolane-2-carboxylic acid
CID 102945606
(2R,5S)-5-[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]oxolane-2-carboxylic acid
CID 102944442
1-acetyl-N-methylpiperidine-2-carboxamide
CID 10607550
2-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 103978471
(2R)-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 78922595
5-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426967
1-(2-aminocyclopentanecarbonyl)-N-methylpiperidine-2-carboxamide
CID 64824181
1-(N'-hydroxycarbamimidoyl)-N-methylpiperidine-2-carboxamide
CID 76944384
(2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 71357643
N-methyl-1-(2-sulfanylpropanoyl)piperidine-2-carboxamide
CID 107026107
(2S)-1-(5-ethyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365140
N-methyl-1-(5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxamide
CID 78983261

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylcarbamoyl)piperidine-1-carbonyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[2-(methylcarbamoyl)piperidine-1-carbonyl]oxolane-2-carboxylic acid (CID 102688135) is 5-[2-(methylcarbamoyl)piperidine-1-carbonyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[2-(methylcarbamoyl)piperidine-1-carbonyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[2-(methylcarbamoyl)piperidine-1-carbonyl]oxolane-2-carboxylic acid is CNC(=O)C1CCCCN1C(=O)C1CCC(C(=O)O)O1.
What is the InChIKey of 5-[2-(methylcarbamoyl)piperidine-1-carbonyl]oxolane-2-carboxylic acid?
The InChIKey is FINHTMGLPMQWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-14-11(16)8-4-2-3-7-15(8)12(17)9-5-6-10(20-9)13(18)19/h8-10H,2-7H2,1H3,(H,14,16)(H,18,19).
What are the key properties of 5-[2-(methylcarbamoyl)piperidine-1-carbonyl]oxolane-2-carboxylic acid?
5-[2-(methylcarbamoyl)piperidine-1-carbonyl]oxolane-2-carboxylic acid has a molecular weight of 284.31 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylcarbamoyl)piperidine-1-carbonyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102688135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).