3-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]propanoic acid

C15H20N2O4 — CID 124697707

IUPAC3-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]propanoic acid
SMILESCn1cc(C(=O)N2CCC[C@@H](CCC(=O)O)C2)ccc1=O
InChIInChI=1S/C15H20N2O4/c1-16-10-12(5-6-13(16)18)15(21)17-8-2-3-11(9-17)4-7-14(19)20/h5-6,10-11H,2-4,7-9H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyZWBRKDVECYMXJL-NSHDSACASA-N
MW292.33 g/mol
LogP1.10
Rot. Bonds4

About 3-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]propanoic acid

3-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]propanoic acid (PubChem CID 124697707) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]propanoic acid
PubChem CID124697707
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]propanoic acid
SMILESCn1cc(C(=O)N2CCC[C@@H](CCC(=O)O)C2)ccc1=O
InChIInChI=1S/C15H20N2O4/c1-16-10-12(5-6-13(16)18)15(21)17-8-2-3-11(9-17)4-7-14(19)20/h5-6,10-11H,2-4,7-9H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyZWBRKDVECYMXJL-NSHDSACASA-N
XLogP1.10
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3S)-1-(4-acetylbenzoyl)piperidin-3-yl]propanoic acid
CID 124681890
1-methyl-5-[(3S)-3-[(4-methylphenyl)methyl]piperidine-1-carbonyl]pyridin-2-one
CID 95289755
3-[(3R)-1-(4-fluoro-3-methylbenzoyl)piperidin-3-yl]propanoic acid
CID 95031817
3-[1-(4-sulfamoylbenzoyl)piperidin-3-yl]propanoic acid
CID 90649672
3-[(3R)-1-(1,6-dimethyl-4-oxopyridine-3-carbonyl)piperidin-3-yl]propanoic acid
CID 125435416
1-methyl-5-[(4S)-4-methylazepane-1-carbonyl]pyridin-2-one
CID 95591235
3-[1-(6-bromonaphthalene-2-carbonyl)piperidin-3-yl]propanoic acid
CID 120689631
3-[(3R)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid
CID 129401379
3-[(3S)-1-(1-methylbenzotriazole-5-carbonyl)piperidin-3-yl]propanoic acid
CID 124698579
3-[1-(3-chloro-4-iodobenzoyl)piperidin-3-yl]propanoic acid
CID 103219048
3-[1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidin-3-yl]propanoic acid
CID 120536442
3-[1-(4-hydroxy-2-methylbenzoyl)piperidin-3-yl]propanoic acid
CID 107670760

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]propanoic acid (CID 124697707) is 3-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]propanoic acid is Cn1cc(C(=O)N2CCC[C@@H](CCC(=O)O)C2)ccc1=O.
What is the InChIKey of 3-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]propanoic acid?
The InChIKey is ZWBRKDVECYMXJL-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N2O4/c1-16-10-12(5-6-13(16)18)15(21)17-8-2-3-11(9-17)4-7-14(19)20/h5-6,10-11H,2-4,7-9H2,1H3,(H,19,20)/t11-/m0/s1.
What are the key properties of 3-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]propanoic acid?
3-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]propanoic acid has a molecular weight of 292.33 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 124697707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).