2-hydroxybenzoic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide

C29H34N2O4 — CID 90277177

IUPAC2-hydroxybenzoic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.O=C(O)c1ccccc1O
InChIInChI=1S/C22H28N2O.C7H6O3/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19;8-6-4-2-1-3-5(6)7(9)10/h3-12,21H,2,13-18H2,1H3;1-4,8H,(H,9,10)
InChIKeyZOWZLBSCAWRWJN-UHFFFAOYSA-N
MW474.60 g/mol
LogP5.23
Rot. Bonds7

About 2-hydroxybenzoic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide

2-hydroxybenzoic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide (PubChem CID 90277177) has the molecular formula C29H34N2O4 and a molecular weight of 474.60 g/mol. Its IUPAC name is 2-hydroxybenzoic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-hydroxybenzoic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
PubChem CID90277177
Molecular FormulaC29H34N2O4
Molecular Weight474.60 g/mol
Exact Mass474.25
IUPAC Name2-hydroxybenzoic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.O=C(O)c1ccccc1O
InChIInChI=1S/C22H28N2O.C7H6O3/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19;8-6-4-2-1-3-5(6)7(9)10/h3-12,21H,2,13-18H2,1H3;1-4,8H,(H,9,10)
InChIKeyZOWZLBSCAWRWJN-UHFFFAOYSA-N
XLogP5.23
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzoic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-hydroxybenzoic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide (CID 90277177) is 2-hydroxybenzoic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-hydroxybenzoic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-hydroxybenzoic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide is CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.O=C(O)c1ccccc1O.
What is the InChIKey of 2-hydroxybenzoic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The InChIKey is ZOWZLBSCAWRWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O.C7H6O3/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19;8-6-4-2-1-3-5(6)7(9)10/h3-12,21H,2,13-18H2,1H3;1-4,8H,(H,9,10).
What are the key properties of 2-hydroxybenzoic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
2-hydroxybenzoic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide has a molecular weight of 474.60 g/mol, XLogP of 5.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzoic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 90277177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).