N-benzyl-N-(2-hydroxyethyl)-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide

C22H28N2O3 — CID 1080764

IUPACN-benzyl-N-(2-hydroxyethyl)-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
SMILESO=C(C1CCN(Cc2ccccc2O)CC1)N(CCO)Cc1ccccc1
InChIInChI=1S/C22H28N2O3/c25-15-14-24(16-18-6-2-1-3-7-18)22(27)19-10-12-23(13-11-19)17-20-8-4-5-9-21(20)26/h1-9,19,25-26H,10-17H2
InChIKeyXOIUVCHOMLLUNO-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.63
Rot. Bonds7

About N-benzyl-N-(2-hydroxyethyl)-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide

N-benzyl-N-(2-hydroxyethyl)-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 1080764) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID1080764
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
SMILESO=C(C1CCN(Cc2ccccc2O)CC1)N(CCO)Cc1ccccc1
InChIInChI=1S/C22H28N2O3/c25-15-14-24(16-18-6-2-1-3-7-18)22(27)19-10-12-23(13-11-19)17-20-8-4-5-9-21(20)26/h1-9,19,25-26H,10-17H2
InChIKeyXOIUVCHOMLLUNO-UHFFFAOYSA-N
XLogP2.63
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze N-benzyl-N-(2-hydroxyethyl)-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide (CID 1080764) is N-benzyl-N-(2-hydroxyethyl)-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide is O=C(C1CCN(Cc2ccccc2O)CC1)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is XOIUVCHOMLLUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c25-15-14-24(16-18-6-2-1-3-7-18)22(27)19-10-12-23(13-11-19)17-20-8-4-5-9-21(20)26/h1-9,19,25-26H,10-17H2.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide?
N-benzyl-N-(2-hydroxyethyl)-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 1080764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).