N-[2-formyl-5-(2-methylphenyl)phenyl]-2-hydroxy-5-piperidin-1-ylbenzamide

C26H26N2O3 — CID 88886236

IUPACN-[2-formyl-5-(2-methylphenyl)phenyl]-2-hydroxy-5-piperidin-1-ylbenzamide
SMILESCc1ccccc1-c1ccc(C=O)c(NC(=O)c2cc(N3CCCCC3)ccc2O)c1
InChIInChI=1S/C26H26N2O3/c1-18-7-3-4-8-22(18)19-9-10-20(17-29)24(15-19)27-26(31)23-16-21(11-12-25(23)30)28-13-5-2-6-14-28/h3-4,7-12,15-17,30H,2,5-6,13-14H2,1H3,(H,27,31)
InChIKeyWFWVCGFZMPDSSS-UHFFFAOYSA-N
MW414.51 g/mol
LogP5.42
Rot. Bonds5

About N-[2-formyl-5-(2-methylphenyl)phenyl]-2-hydroxy-5-piperidin-1-ylbenzamide

N-[2-formyl-5-(2-methylphenyl)phenyl]-2-hydroxy-5-piperidin-1-ylbenzamide (PubChem CID 88886236) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[2-formyl-5-(2-methylphenyl)phenyl]-2-hydroxy-5-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-formyl-5-(2-methylphenyl)phenyl]-2-hydroxy-5-piperidin-1-ylbenzamide
PubChem CID88886236
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC NameN-[2-formyl-5-(2-methylphenyl)phenyl]-2-hydroxy-5-piperidin-1-ylbenzamide
SMILESCc1ccccc1-c1ccc(C=O)c(NC(=O)c2cc(N3CCCCC3)ccc2O)c1
InChIInChI=1S/C26H26N2O3/c1-18-7-3-4-8-22(18)19-9-10-20(17-29)24(15-19)27-26(31)23-16-21(11-12-25(23)30)28-13-5-2-6-14-28/h3-4,7-12,15-17,30H,2,5-6,13-14H2,1H3,(H,27,31)
InChIKeyWFWVCGFZMPDSSS-UHFFFAOYSA-N
XLogP5.42
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-formyl-5-(2-methylphenyl)phenyl]-2-hydroxy-5-piperidin-1-ylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[(2-hydroxy-5-piperidin-1-ylbenzoyl)amino]-4-(3-methylphenyl)benzoic acid
CID 66990742
1-[4-(2-methylphenyl)phenyl]pyrrolidine
CID 168512930
2-hydroxy-5-(2-methylphenyl)benzoic acid
CID 4192838
2-methyl-4-pyrrolidin-1-ylbenzaldehyde
CID 958834
tert-butyl 2-[(2-hydroxy-4-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoate
CID 58508424
2-chloro-N-[2,4-di(piperidin-1-yl)phenyl]benzamide
CID 2954012
2-hydroxy-5-methoxy-N-(2-piperidin-1-ylphenyl)benzamide
CID 112809580
2-[(2-butoxy-5-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoic acid
CID 70857388
4-(2-methylphenyl)-2-[(3-sulfanylbenzoyl)amino]benzoic acid
CID 91088822
3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylphenyl)propanamide
CID 110362187
3-(cyclopropanecarbonylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide
CID 41399571
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-nitrobenzamide
CID 42157070

Frequently Asked Questions

What is the IUPAC name of N-[2-formyl-5-(2-methylphenyl)phenyl]-2-hydroxy-5-piperidin-1-ylbenzamide?
The IUPAC name of N-[2-formyl-5-(2-methylphenyl)phenyl]-2-hydroxy-5-piperidin-1-ylbenzamide (CID 88886236) is N-[2-formyl-5-(2-methylphenyl)phenyl]-2-hydroxy-5-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[2-formyl-5-(2-methylphenyl)phenyl]-2-hydroxy-5-piperidin-1-ylbenzamide?
The canonical SMILES for N-[2-formyl-5-(2-methylphenyl)phenyl]-2-hydroxy-5-piperidin-1-ylbenzamide is Cc1ccccc1-c1ccc(C=O)c(NC(=O)c2cc(N3CCCCC3)ccc2O)c1.
What is the InChIKey of N-[2-formyl-5-(2-methylphenyl)phenyl]-2-hydroxy-5-piperidin-1-ylbenzamide?
The InChIKey is WFWVCGFZMPDSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-18-7-3-4-8-22(18)19-9-10-20(17-29)24(15-19)27-26(31)23-16-21(11-12-25(23)30)28-13-5-2-6-14-28/h3-4,7-12,15-17,30H,2,5-6,13-14H2,1H3,(H,27,31).
What are the key properties of N-[2-formyl-5-(2-methylphenyl)phenyl]-2-hydroxy-5-piperidin-1-ylbenzamide?
N-[2-formyl-5-(2-methylphenyl)phenyl]-2-hydroxy-5-piperidin-1-ylbenzamide has a molecular weight of 414.51 g/mol, XLogP of 5.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-formyl-5-(2-methylphenyl)phenyl]-2-hydroxy-5-piperidin-1-ylbenzamide is sourced from PubChem (CID 88886236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).