4-methyl-2-oxo-1-[1-(2-phenylethyl)piperidin-4-yl]pyridine-3-carboxylic acid

C20H24N2O3 — CID 170511544

IUPAC4-methyl-2-oxo-1-[1-(2-phenylethyl)piperidin-4-yl]pyridine-3-carboxylic acid
SMILESCc1ccn(C2CCN(CCc3ccccc3)CC2)c(=O)c1C(=O)O
InChIInChI=1S/C20H24N2O3/c1-15-7-14-22(19(23)18(15)20(24)25)17-9-12-21(13-10-17)11-8-16-5-3-2-4-6-16/h2-7,14,17H,8-13H2,1H3,(H,24,25)
InChIKeyAKYQRWHXHYFJRQ-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.73
Rot. Bonds5

About 4-methyl-2-oxo-1-[1-(2-phenylethyl)piperidin-4-yl]pyridine-3-carboxylic acid

4-methyl-2-oxo-1-[1-(2-phenylethyl)piperidin-4-yl]pyridine-3-carboxylic acid (PubChem CID 170511544) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4-methyl-2-oxo-1-[1-(2-phenylethyl)piperidin-4-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-oxo-1-[1-(2-phenylethyl)piperidin-4-yl]pyridine-3-carboxylic acid
PubChem CID170511544
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name4-methyl-2-oxo-1-[1-(2-phenylethyl)piperidin-4-yl]pyridine-3-carboxylic acid
SMILESCc1ccn(C2CCN(CCc3ccccc3)CC2)c(=O)c1C(=O)O
InChIInChI=1S/C20H24N2O3/c1-15-7-14-22(19(23)18(15)20(24)25)17-9-12-21(13-10-17)11-8-16-5-3-2-4-6-16/h2-7,14,17H,8-13H2,1H3,(H,24,25)
InChIKeyAKYQRWHXHYFJRQ-UHFFFAOYSA-N
XLogP2.73
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-oxo-1-[[1-(2-phenylethyl)piperidin-3-yl]methyl]pyridine-3-carboxylic acid
CID 170511886
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-methyl-2-oxopyridine-3-carboxylic acid
CID 170512055
1-[1-(2-phenylethyl)piperidin-4-yl]propan-2-one
CID 91066531
4-methyl-2-oxo-1-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-3-carboxylic acid
CID 170505686
(6S)-6-benzyl-4-[1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazin-2-one
CID 172660694
4-methyl-2-oxo-N-[1-(2-phenylethyl)piperidin-4-yl]-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172912500
(3R)-N,N-diethyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 26458414
N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 165365115
1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008
3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 21262755
1-[1-(2-phenylethyl)piperidin-4-yl]ethanol
CID 103656947
4-methyl-2-oxo-1-(4-pyrrolidin-1-ylbutyl)pyridine-3-carboxylic acid
CID 170506720

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-1-[1-(2-phenylethyl)piperidin-4-yl]pyridine-3-carboxylic acid?
The IUPAC name of 4-methyl-2-oxo-1-[1-(2-phenylethyl)piperidin-4-yl]pyridine-3-carboxylic acid (CID 170511544) is 4-methyl-2-oxo-1-[1-(2-phenylethyl)piperidin-4-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-2-oxo-1-[1-(2-phenylethyl)piperidin-4-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-methyl-2-oxo-1-[1-(2-phenylethyl)piperidin-4-yl]pyridine-3-carboxylic acid is Cc1ccn(C2CCN(CCc3ccccc3)CC2)c(=O)c1C(=O)O.
What is the InChIKey of 4-methyl-2-oxo-1-[1-(2-phenylethyl)piperidin-4-yl]pyridine-3-carboxylic acid?
The InChIKey is AKYQRWHXHYFJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15-7-14-22(19(23)18(15)20(24)25)17-9-12-21(13-10-17)11-8-16-5-3-2-4-6-16/h2-7,14,17H,8-13H2,1H3,(H,24,25).
What are the key properties of 4-methyl-2-oxo-1-[1-(2-phenylethyl)piperidin-4-yl]pyridine-3-carboxylic acid?
4-methyl-2-oxo-1-[1-(2-phenylethyl)piperidin-4-yl]pyridine-3-carboxylic acid has a molecular weight of 340.42 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-1-[1-(2-phenylethyl)piperidin-4-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 170511544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).