1-(6-methoxypyridine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid

C14H18N2O4 — CID 106741779

IUPAC1-(6-methoxypyridine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid
SMILESCOc1ccc(C(=O)N2CCC(C(=O)O)CC2C)cn1
InChIInChI=1S/C14H18N2O4/c1-9-7-10(14(18)19)5-6-16(9)13(17)11-3-4-12(20-2)15-8-11/h3-4,8-10H,5-7H2,1-2H3,(H,18,19)
InChIKeyJEIMNULSWLXCFR-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.42
Rot. Bonds3

About 1-(6-methoxypyridine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid

1-(6-methoxypyridine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid (PubChem CID 106741779) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(6-methoxypyridine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-methoxypyridine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid
PubChem CID106741779
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-(6-methoxypyridine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid
SMILESCOc1ccc(C(=O)N2CCC(C(=O)O)CC2C)cn1
InChIInChI=1S/C14H18N2O4/c1-9-7-10(14(18)19)5-6-16(9)13(17)11-3-4-12(20-2)15-8-11/h3-4,8-10H,5-7H2,1-2H3,(H,18,19)
InChIKeyJEIMNULSWLXCFR-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

(2R)-1-(6-methoxypyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 79034423
[(2R)-2,4-dimethylpiperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 97094124
1-(4-chlorobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741708
2-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 106742262
(4-methoxyphenyl)-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]methanone
CID 25475529
(6-hydrazinyl-3-pyridinyl)-(4-methoxy-2-methylpiperidin-1-yl)methanone
CID 114221536
1-(1,3-benzothiazole-6-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106741825
1-(5-bromopyridine-2-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106741792
1-[2-(aminomethyl)pyridine-4-carbonyl]-2-methylpiperidine-4-carboxylic acid
CID 106742890
1-(3-chloro-4-iodobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106742259
1-(3-amino-4-bromobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 107813364
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 79410382

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyridine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(6-methoxypyridine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid (CID 106741779) is 1-(6-methoxypyridine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(6-methoxypyridine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(6-methoxypyridine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid is COc1ccc(C(=O)N2CCC(C(=O)O)CC2C)cn1.
What is the InChIKey of 1-(6-methoxypyridine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid?
The InChIKey is JEIMNULSWLXCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9-7-10(14(18)19)5-6-16(9)13(17)11-3-4-12(20-2)15-8-11/h3-4,8-10H,5-7H2,1-2H3,(H,18,19).
What are the key properties of 1-(6-methoxypyridine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid?
1-(6-methoxypyridine-3-carbonyl)-2-methylpiperidine-4-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-(6-methoxypyridine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106741779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).