2-[1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]acetic acid

C14H18N2O3 — CID 54899855

IUPAC2-[1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]acetic acid
SMILESCc1ccc(C(=O)N2CCCCC2CC(=O)O)cn1
InChIInChI=1S/C14H18N2O3/c1-10-5-6-11(9-15-10)14(19)16-7-3-2-4-12(16)8-13(17)18/h5-6,9,12H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyFCIGWEDGQBPHDC-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.86
Rot. Bonds3

About 2-[1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]acetic acid

2-[1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]acetic acid (PubChem CID 54899855) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]acetic acid
PubChem CID54899855
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]acetic acid
SMILESCc1ccc(C(=O)N2CCCCC2CC(=O)O)cn1
InChIInChI=1S/C14H18N2O3/c1-10-5-6-11(9-15-10)14(19)16-7-3-2-4-12(16)8-13(17)18/h5-6,9,12H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyFCIGWEDGQBPHDC-UHFFFAOYSA-N
XLogP1.86
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(pyridazine-4-carbonyl)piperidin-2-yl]acetic acid
CID 112640151
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 62468426
2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615240
2-[1-(4-bromobenzoyl)piperidin-2-yl]acetic acid
CID 54899712
2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61371830
2-[(2S)-1-(4-methylsulfanylbenzoyl)piperidin-2-yl]acetic acid
CID 93437286
2-hydroxy-6-[[(2S)-1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde
CID 86295709
2-[1-(3-bromo-4-methylbenzoyl)piperidin-2-yl]acetic acid
CID 81470540
[4-(6-methyl-3-pyridinyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 121495554
(6-methyl-3-pyridinyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 10058742
[(2S)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 125131336
(3-methyl-2-methylsulfanylazepan-1-yl)-(6-methyl-3-pyridinyl)methanone
CID 166876433

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]acetic acid (CID 54899855) is 2-[1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]acetic acid is Cc1ccc(C(=O)N2CCCCC2CC(=O)O)cn1.
What is the InChIKey of 2-[1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]acetic acid?
The InChIKey is FCIGWEDGQBPHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-5-6-11(9-15-10)14(19)16-7-3-2-4-12(16)8-13(17)18/h5-6,9,12H,2-4,7-8H2,1H3,(H,17,18).
What are the key properties of 2-[1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]acetic acid?
2-[1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]acetic acid has a molecular weight of 262.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 54899855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).