3-phenyl-3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid

C23H33N3O4 — CID 15887956

IUPAC3-phenyl-3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid
SMILESO=C(O)CC(NC(=O)C1CCCN(C(=O)CCC2CCNCC2)C1)c1ccccc1
InChIInChI=1S/C23H33N3O4/c27-21(9-8-17-10-12-24-13-11-17)26-14-4-7-19(16-26)23(30)25-20(15-22(28)29)18-5-2-1-3-6-18/h1-3,5-6,17,19-20,24H,4,7-16H2,(H,25,30)(H,28,29)
InChIKeyWIQNHDTZROVWEI-UHFFFAOYSA-N
MW415.53 g/mol
LogP2.34
Rot. Bonds8

About 3-phenyl-3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid

3-phenyl-3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid (PubChem CID 15887956) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is 3-phenyl-3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-phenyl-3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid
PubChem CID15887956
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC Name3-phenyl-3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid
SMILESO=C(O)CC(NC(=O)C1CCCN(C(=O)CCC2CCNCC2)C1)c1ccccc1
InChIInChI=1S/C23H33N3O4/c27-21(9-8-17-10-12-24-13-11-17)26-14-4-7-19(16-26)23(30)25-20(15-22(28)29)18-5-2-1-3-6-18/h1-3,5-6,17,19-20,24H,4,7-16H2,(H,25,30)(H,28,29)
InChIKeyWIQNHDTZROVWEI-UHFFFAOYSA-N
XLogP2.34
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 3-phenyl-3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid (CID 15887956) is 3-phenyl-3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-phenyl-3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-phenyl-3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid is O=C(O)CC(NC(=O)C1CCCN(C(=O)CCC2CCNCC2)C1)c1ccccc1.
What is the InChIKey of 3-phenyl-3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid?
The InChIKey is WIQNHDTZROVWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c27-21(9-8-17-10-12-24-13-11-17)26-14-4-7-19(16-26)23(30)25-20(15-22(28)29)18-5-2-1-3-6-18/h1-3,5-6,17,19-20,24H,4,7-16H2,(H,25,30)(H,28,29).
What are the key properties of 3-phenyl-3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid?
3-phenyl-3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid has a molecular weight of 415.53 g/mol, XLogP of 2.34, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 15887956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).