2-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoylamino]butanoic acid

C18H27N3O4 — CID 82031284

IUPAC2-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoylamino]butanoic acid
SMILESCCC(NC(=O)CCn1cc(N2CCC(C)CC2)ccc1=O)C(=O)O
InChIInChI=1S/C18H27N3O4/c1-3-15(18(24)25)19-16(22)8-11-21-12-14(4-5-17(21)23)20-9-6-13(2)7-10-20/h4-5,12-13,15H,3,6-11H2,1-2H3,(H,19,22)(H,24,25)
InChIKeyXBDSTIPKOVGWFS-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.45
Rot. Bonds7

About 2-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoylamino]butanoic acid

2-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoylamino]butanoic acid (PubChem CID 82031284) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoylamino]butanoic acid.

Molecular Properties

Compound Name2-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoylamino]butanoic acid
PubChem CID82031284
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name2-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoylamino]butanoic acid
SMILESCCC(NC(=O)CCn1cc(N2CCC(C)CC2)ccc1=O)C(=O)O
InChIInChI=1S/C18H27N3O4/c1-3-15(18(24)25)19-16(22)8-11-21-12-14(4-5-17(21)23)20-9-6-13(2)7-10-20/h4-5,12-13,15H,3,6-11H2,1-2H3,(H,19,22)(H,24,25)
InChIKeyXBDSTIPKOVGWFS-UHFFFAOYSA-N
XLogP1.45
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminoethyl)-5-(4-methylpiperidin-1-yl)pyridin-2-one
CID 82032054
N-(2-aminoethyl)-5-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]pentanamide
CID 39151053
2-[3-(5-chloro-2-oxo-1-pyridinyl)propanoylamino]pentanoic acid
CID 82031256
1-[[4-(aminomethyl)phenyl]methyl]-5-(4-methylpiperidin-1-yl)pyridin-2-one
CID 94758177
N-butan-2-yl-3-(4-methylpiperidin-1-yl)propanamide
CID 109012920
4-[5-(azepan-1-yl)-2-oxo-1-pyridinyl]butanoic acid
CID 39151147
N-[4-(4-methylpiperidin-1-yl)phenyl]-2,2-diphenylacetamide
CID 19629747
2-[3-(4-methylpiperidin-1-yl)propylamino]butanoic acid
CID 113292330
3-N-butan-2-yl-1-N-[4-(4-methylpiperidin-1-yl)phenyl]benzene-1,3-dicarboxamide
CID 109051577
3-[N-ethyl-4-(4-methylpiperidin-1-yl)anilino]-2-methylpropanoic acid
CID 82318893
3-(3-fluorophenyl)-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]propanoic acid
CID 53215791
2-(3,4-dimethylphenyl)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 132654687

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoylamino]butanoic acid?
The IUPAC name of 2-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoylamino]butanoic acid (CID 82031284) is 2-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoylamino]butanoic acid.
What is the SMILES notation for 2-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoylamino]butanoic acid?
The canonical SMILES for 2-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoylamino]butanoic acid is CCC(NC(=O)CCn1cc(N2CCC(C)CC2)ccc1=O)C(=O)O.
What is the InChIKey of 2-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoylamino]butanoic acid?
The InChIKey is XBDSTIPKOVGWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-3-15(18(24)25)19-16(22)8-11-21-12-14(4-5-17(21)23)20-9-6-13(2)7-10-20/h4-5,12-13,15H,3,6-11H2,1-2H3,(H,19,22)(H,24,25).
What are the key properties of 2-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoylamino]butanoic acid?
2-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoylamino]butanoic acid has a molecular weight of 349.43 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoylamino]butanoic acid is sourced from PubChem (CID 82031284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).