1-(2-methoxypyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid

C14H18N2O4 — CID 63133754

IUPAC1-(2-methoxypyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
SMILESCOc1ncccc1C(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C14H18N2O4/c1-14(13(18)19)6-4-8-16(9-14)12(17)10-5-3-7-15-11(10)20-2/h3,5,7H,4,6,8-9H2,1-2H3,(H,18,19)
InChIKeyYGPALGUKBKNPFI-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.42
Rot. Bonds3

About 1-(2-methoxypyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid

1-(2-methoxypyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid (PubChem CID 63133754) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(2-methoxypyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxypyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
PubChem CID63133754
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-(2-methoxypyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
SMILESCOc1ncccc1C(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C14H18N2O4/c1-14(13(18)19)6-4-8-16(9-14)12(17)10-5-3-7-15-11(10)20-2/h3,5,7H,4,6,8-9H2,1-2H3,(H,18,19)
InChIKeyYGPALGUKBKNPFI-UHFFFAOYSA-N
XLogP1.42
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminopyridine-2-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 104742274
1-(2-bromopyridine-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 114036696
[(3S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 42298650
(4,4-difluoropiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 121184561
(3,3-difluoroazetidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 122269321
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 107160131
(2R)-4-(2-methoxypyridine-3-carbonyl)-2-methylmorpholine-2-carboxamide
CID 125015588
[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 129483484
1-(2-bromo-3-methylbenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 107981448
1-(2-amino-4-methoxybenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 115413220
1-(3-methoxycarbonyl-2-pyridinyl)-3-methylpiperidine-3-carboxylic acid
CID 63135852
(2-chloro-3-pyridinyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392246

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2-methoxypyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid (CID 63133754) is 1-(2-methoxypyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methoxypyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methoxypyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid is COc1ncccc1C(=O)N1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 1-(2-methoxypyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid?
The InChIKey is YGPALGUKBKNPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-14(13(18)19)6-4-8-16(9-14)12(17)10-5-3-7-15-11(10)20-2/h3,5,7H,4,6,8-9H2,1-2H3,(H,18,19).
What are the key properties of 1-(2-methoxypyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid?
1-(2-methoxypyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63133754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).