5-oxo-5-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)pentanoic acid

C24H30N2O3 — CID 56672265

IUPAC5-oxo-5-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)pentanoic acid
SMILESO=C(O)CCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C24H30N2O3/c27-23(12-7-13-24(28)29)26(21-10-5-2-6-11-21)22-15-18-25(19-16-22)17-14-20-8-3-1-4-9-20/h1-6,8-11,22H,7,12-19H2,(H,28,29)
InChIKeySCBNVXUKDLGALO-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.98
Rot. Bonds9

About 5-oxo-5-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)pentanoic acid

5-oxo-5-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)pentanoic acid (PubChem CID 56672265) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 5-oxo-5-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)pentanoic acid
PubChem CID56672265
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name5-oxo-5-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)pentanoic acid
SMILESO=C(O)CCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C24H30N2O3/c27-23(12-7-13-24(28)29)26(21-10-5-2-6-11-21)22-15-18-25(19-16-22)17-14-20-8-3-1-4-9-20/h1-6,8-11,22H,7,12-19H2,(H,28,29)
InChIKeySCBNVXUKDLGALO-UHFFFAOYSA-N
XLogP3.98
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)pentanoic acid?
The IUPAC name of 5-oxo-5-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)pentanoic acid (CID 56672265) is 5-oxo-5-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)pentanoic acid?
The canonical SMILES for 5-oxo-5-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)pentanoic acid is O=C(O)CCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 5-oxo-5-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)pentanoic acid?
The InChIKey is SCBNVXUKDLGALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c27-23(12-7-13-24(28)29)26(21-10-5-2-6-11-21)22-15-18-25(19-16-22)17-14-20-8-3-1-4-9-20/h1-6,8-11,22H,7,12-19H2,(H,28,29).
What are the key properties of 5-oxo-5-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)pentanoic acid?
5-oxo-5-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)pentanoic acid has a molecular weight of 394.52 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)pentanoic acid is sourced from PubChem (CID 56672265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).