2-[1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]acetic acid

C15H20N2O3 — CID 61009259

IUPAC2-[1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)CCc1cccnc1
InChIInChI=1S/C15H20N2O3/c18-14(7-6-12-4-3-8-16-11-12)17-9-2-1-5-13(17)10-15(19)20/h3-4,8,11,13H,1-2,5-7,9-10H2,(H,19,20)
InChIKeyPIBGBXCCHFCJBY-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.87
Rot. Bonds5

About 2-[1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]acetic acid

2-[1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]acetic acid (PubChem CID 61009259) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]acetic acid
PubChem CID61009259
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)CCc1cccnc1
InChIInChI=1S/C15H20N2O3/c18-14(7-6-12-4-3-8-16-11-12)17-9-2-1-5-13(17)10-15(19)20/h3-4,8,11,13H,1-2,5-7,9-10H2,(H,19,20)
InChIKeyPIBGBXCCHFCJBY-UHFFFAOYSA-N
XLogP1.87
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid
CID 43356028
2-[(3S)-4-(3-pyridin-3-ylpropanoyl)morpholin-3-yl]acetic acid
CID 99625562
2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]acetic acid
CID 61010514
1-[2-(4-fluorophenyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70715895
1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 175652588
2-[1-(2-pyridin-4-ylacetyl)piperidin-2-yl]acetic acid
CID 54899853
2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61371830
2-[(2S)-1-[3-(furan-3-yl)propanoyl]pyrrolidin-2-yl]acetic acid
CID 129468857
(2R,4S)-4-hydroxy-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid
CID 50975830
1-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 46988256
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 79030214
3-[1-(pyridin-3-ylmethyl)piperidin-2-yl]propanoic acid
CID 62215820

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]acetic acid (CID 61009259) is 2-[1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1C(=O)CCc1cccnc1.
What is the InChIKey of 2-[1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]acetic acid?
The InChIKey is PIBGBXCCHFCJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14(7-6-12-4-3-8-16-11-12)17-9-2-1-5-13(17)10-15(19)20/h3-4,8,11,13H,1-2,5-7,9-10H2,(H,19,20).
What are the key properties of 2-[1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]acetic acid?
2-[1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]acetic acid has a molecular weight of 276.34 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 61009259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).