4-oxo-4-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)butanoic acid

C23H28N2O3 — CID 23635044

IUPAC4-oxo-4-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)butanoic acid
SMILESO=C(O)CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H28N2O3/c26-22(11-12-23(27)28)25(20-9-5-2-6-10-20)21-14-17-24(18-15-21)16-13-19-7-3-1-4-8-19/h1-10,21H,11-18H2,(H,27,28)
InChIKeyMEVFKTVEGJUHHI-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.59
Rot. Bonds8

About 4-oxo-4-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)butanoic acid

4-oxo-4-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)butanoic acid (PubChem CID 23635044) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-oxo-4-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)butanoic acid.

Molecular Properties

Compound Name4-oxo-4-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)butanoic acid
PubChem CID23635044
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name4-oxo-4-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)butanoic acid
SMILESO=C(O)CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H28N2O3/c26-22(11-12-23(27)28)25(20-9-5-2-6-10-20)21-14-17-24(18-15-21)16-13-19-7-3-1-4-8-19/h1-10,21H,11-18H2,(H,27,28)
InChIKeyMEVFKTVEGJUHHI-UHFFFAOYSA-N
XLogP3.59
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)butanoic acid?
The IUPAC name of 4-oxo-4-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)butanoic acid (CID 23635044) is 4-oxo-4-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)butanoic acid.
What is the SMILES notation for 4-oxo-4-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)butanoic acid?
The canonical SMILES for 4-oxo-4-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)butanoic acid is O=C(O)CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 4-oxo-4-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)butanoic acid?
The InChIKey is MEVFKTVEGJUHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c26-22(11-12-23(27)28)25(20-9-5-2-6-10-20)21-14-17-24(18-15-21)16-13-19-7-3-1-4-8-19/h1-10,21H,11-18H2,(H,27,28).
What are the key properties of 4-oxo-4-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)butanoic acid?
4-oxo-4-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)butanoic acid has a molecular weight of 380.49 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)butanoic acid is sourced from PubChem (CID 23635044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).