2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]-4-phenylbutanoic acid

C26H27NO4 — CID 54172123

IUPAC2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]-4-phenylbutanoic acid
SMILESO=C(O)C(CCc1ccccc1)C1(O)CCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C26H27NO4/c28-24(22-12-11-20-8-4-5-9-21(20)18-22)27-16-14-26(31,15-17-27)23(25(29)30)13-10-19-6-2-1-3-7-19/h1-9,11-12,18,23,31H,10,13-17H2,(H,29,30)
InChIKeyOVTIEMWWJPHLJN-UHFFFAOYSA-N
MW417.50 g/mol
LogP4.14
Rot. Bonds6

About 2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]-4-phenylbutanoic acid

2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]-4-phenylbutanoic acid (PubChem CID 54172123) has the molecular formula C26H27NO4 and a molecular weight of 417.50 g/mol. Its IUPAC name is 2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]-4-phenylbutanoic acid.

Molecular Properties

Compound Name2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]-4-phenylbutanoic acid
PubChem CID54172123
Molecular FormulaC26H27NO4
Molecular Weight417.50 g/mol
Exact Mass417.19
IUPAC Name2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]-4-phenylbutanoic acid
SMILESO=C(O)C(CCc1ccccc1)C1(O)CCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C26H27NO4/c28-24(22-12-11-20-8-4-5-9-21(20)18-22)27-16-14-26(31,15-17-27)23(25(29)30)13-10-19-6-2-1-3-7-19/h1-9,11-12,18,23,31H,10,13-17H2,(H,29,30)
InChIKeyOVTIEMWWJPHLJN-UHFFFAOYSA-N
XLogP4.14
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.50
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]-4-phenylbutanoic acid?
The IUPAC name of 2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]-4-phenylbutanoic acid (CID 54172123) is 2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]-4-phenylbutanoic acid.
What is the SMILES notation for 2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]-4-phenylbutanoic acid?
The canonical SMILES for 2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]-4-phenylbutanoic acid is O=C(O)C(CCc1ccccc1)C1(O)CCN(C(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]-4-phenylbutanoic acid?
The InChIKey is OVTIEMWWJPHLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO4/c28-24(22-12-11-20-8-4-5-9-21(20)18-22)27-16-14-26(31,15-17-27)23(25(29)30)13-10-19-6-2-1-3-7-19/h1-9,11-12,18,23,31H,10,13-17H2,(H,29,30).
What are the key properties of 2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]-4-phenylbutanoic acid?
2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]-4-phenylbutanoic acid has a molecular weight of 417.50 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]-4-phenylbutanoic acid is sourced from PubChem (CID 54172123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).