N-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]-4-hydroxybenzamide

C22H28N2O3 — CID 70046612

IUPACN-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]-4-hydroxybenzamide
SMILESO=C(NCCCN1CCC(O)(Cc2ccccc2)CC1)c1ccc(O)cc1
InChIInChI=1S/C22H28N2O3/c25-20-9-7-19(8-10-20)21(26)23-13-4-14-24-15-11-22(27,12-16-24)17-18-5-2-1-3-6-18/h1-3,5-10,25,27H,4,11-17H2,(H,23,26)
InChIKeyYPSKMNWAROYBPY-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.58
Rot. Bonds7

About N-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]-4-hydroxybenzamide

N-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]-4-hydroxybenzamide (PubChem CID 70046612) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]-4-hydroxybenzamide
PubChem CID70046612
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]-4-hydroxybenzamide
SMILESO=C(NCCCN1CCC(O)(Cc2ccccc2)CC1)c1ccc(O)cc1
InChIInChI=1S/C22H28N2O3/c25-20-9-7-19(8-10-20)21(26)23-13-4-14-24-15-11-22(27,12-16-24)17-18-5-2-1-3-6-18/h1-3,5-10,25,27H,4,11-17H2,(H,23,26)
InChIKeyYPSKMNWAROYBPY-UHFFFAOYSA-N
XLogP2.58
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]-4-hydroxybenzamide?
The IUPAC name of N-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]-4-hydroxybenzamide (CID 70046612) is N-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]-4-hydroxybenzamide.
What is the SMILES notation for N-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]-4-hydroxybenzamide?
The canonical SMILES for N-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]-4-hydroxybenzamide is O=C(NCCCN1CCC(O)(Cc2ccccc2)CC1)c1ccc(O)cc1.
What is the InChIKey of N-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]-4-hydroxybenzamide?
The InChIKey is YPSKMNWAROYBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c25-20-9-7-19(8-10-20)21(26)23-13-4-14-24-15-11-22(27,12-16-24)17-18-5-2-1-3-6-18/h1-3,5-10,25,27H,4,11-17H2,(H,23,26).
What are the key properties of N-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]-4-hydroxybenzamide?
N-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]-4-hydroxybenzamide has a molecular weight of 368.48 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]-4-hydroxybenzamide is sourced from PubChem (CID 70046612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).