3-[4-(N-propanoylanilino)piperidin-1-yl]propanoic acid

C17H24N2O3 — CID 14873785

IUPAC3-[4-(N-propanoylanilino)piperidin-1-yl]propanoic acid
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCC(=O)O)CC1
InChIInChI=1S/C17H24N2O3/c1-2-16(20)19(14-6-4-3-5-7-14)15-8-11-18(12-9-15)13-10-17(21)22/h3-7,15H,2,8-13H2,1H3,(H,21,22)
InChIKeyVGTFOPXHPUKAHG-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.37
Rot. Bonds6

About 3-[4-(N-propanoylanilino)piperidin-1-yl]propanoic acid

3-[4-(N-propanoylanilino)piperidin-1-yl]propanoic acid (PubChem CID 14873785) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-[4-(N-propanoylanilino)piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(N-propanoylanilino)piperidin-1-yl]propanoic acid
PubChem CID14873785
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name3-[4-(N-propanoylanilino)piperidin-1-yl]propanoic acid
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCC(=O)O)CC1
InChIInChI=1S/C17H24N2O3/c1-2-16(20)19(14-6-4-3-5-7-14)15-8-11-18(12-9-15)13-10-17(21)22/h3-7,15H,2,8-13H2,1H3,(H,21,22)
InChIKeyVGTFOPXHPUKAHG-UHFFFAOYSA-N
XLogP2.37
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(N-propanoylanilino)piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(N-propanoylanilino)piperidin-1-yl]propanoic acid (CID 14873785) is 3-[4-(N-propanoylanilino)piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(N-propanoylanilino)piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(N-propanoylanilino)piperidin-1-yl]propanoic acid is CCC(=O)N(c1ccccc1)C1CCN(CCC(=O)O)CC1.
What is the InChIKey of 3-[4-(N-propanoylanilino)piperidin-1-yl]propanoic acid?
The InChIKey is VGTFOPXHPUKAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-2-16(20)19(14-6-4-3-5-7-14)15-8-11-18(12-9-15)13-10-17(21)22/h3-7,15H,2,8-13H2,1H3,(H,21,22).
What are the key properties of 3-[4-(N-propanoylanilino)piperidin-1-yl]propanoic acid?
3-[4-(N-propanoylanilino)piperidin-1-yl]propanoic acid has a molecular weight of 304.39 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(N-propanoylanilino)piperidin-1-yl]propanoic acid is sourced from PubChem (CID 14873785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).