3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid

C15H19N3O6 — CID 170162220

IUPAC3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid
SMILESCOC(=O)Cn1cc(NC(=O)C2CCCN(C(=O)O)C2)ccc1=O
InChIInChI=1S/C15H19N3O6/c1-24-13(20)9-18-8-11(4-5-12(18)19)16-14(21)10-3-2-6-17(7-10)15(22)23/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,16,21)(H,22,23)
InChIKeyMKQGZNPHJIUUFH-UHFFFAOYSA-N
MW337.33 g/mol
LogP0.35
Rot. Bonds4

About 3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid

3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid (PubChem CID 170162220) has the molecular formula C15H19N3O6 and a molecular weight of 337.33 g/mol. Its IUPAC name is 3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid
PubChem CID170162220
Molecular FormulaC15H19N3O6
Molecular Weight337.33 g/mol
Exact Mass337.13
IUPAC Name3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid
SMILESCOC(=O)Cn1cc(NC(=O)C2CCCN(C(=O)O)C2)ccc1=O
InChIInChI=1S/C15H19N3O6/c1-24-13(20)9-18-8-11(4-5-12(18)19)16-14(21)10-3-2-6-17(7-10)15(22)23/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,16,21)(H,22,23)
InChIKeyMKQGZNPHJIUUFH-UHFFFAOYSA-N
XLogP0.35
TPSA117.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid with MolForge

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Related Compounds

2-[5-[2-[2-[2-(2-Aminoethoxy)ethoxy]ethoxy]ethyl-(piperidine-3-carbonyl)amino]-2-oxo-1-pyridinyl]acetic acid
CID 169213763
tert-butyl (3S)-3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 169213810
2-[5-[2-[2-[2-(2-Aminoethoxy)ethoxy]ethoxy]ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]amino]-2-oxo-1-pyridinyl]acetic acid
CID 169214066
Tert-butyl 3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 169214190
2-[5-[2-[2-[2-(2-Azidoethoxy)ethoxy]ethoxy]ethyl-(piperidine-3-carbonyl)amino]-2-oxo-1-pyridinyl]acetic acid
CID 169214460
2-[5-[2-[2-[2-(2-Azidoethoxy)ethoxy]ethoxy]ethyl-(piperidine-3-carbonyl)amino]-2-oxo-1-pyridinyl]acetic acid;hydrochloride
CID 169214475
(3S)-3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid
CID 170161715
Methyl 4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoate
CID 43431198
Methyl 2-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoate
CID 43431542
N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]piperidine-3-carboxamide
CID 43713270
N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-methylpiperidine-3-carboxamide
CID 63130977
(3S)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]piperidine-3-carboxamide
CID 81124731

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid?
The IUPAC name of 3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid (CID 170162220) is 3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid?
The canonical SMILES for 3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid is COC(=O)Cn1cc(NC(=O)C2CCCN(C(=O)O)C2)ccc1=O.
What is the InChIKey of 3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid?
The InChIKey is MKQGZNPHJIUUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O6/c1-24-13(20)9-18-8-11(4-5-12(18)19)16-14(21)10-3-2-6-17(7-10)15(22)23/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,16,21)(H,22,23).
What are the key properties of 3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid?
3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid has a molecular weight of 337.33 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 170162220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).