N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[2-(hydroxymethyl)phenyl]benzamide

C21H27N3O2 — CID 126449025

IUPACN-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[2-(hydroxymethyl)phenyl]benzamide
SMILESCN1CCN(C)[C@@H](CNC(=O)c2ccc(-c3ccccc3CO)cc2)C1
InChIInChI=1S/C21H27N3O2/c1-23-11-12-24(2)19(14-23)13-22-21(26)17-9-7-16(8-10-17)20-6-4-3-5-18(20)15-25/h3-10,19,25H,11-15H2,1-2H3,(H,22,26)/t19-/m0/s1
InChIKeyQITQCTMLQWKLEK-IBGZPJMESA-N
MW353.47 g/mol
LogP1.82
Rot. Bonds5

About N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[2-(hydroxymethyl)phenyl]benzamide

N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[2-(hydroxymethyl)phenyl]benzamide (PubChem CID 126449025) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[2-(hydroxymethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[2-(hydroxymethyl)phenyl]benzamide
PubChem CID126449025
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[2-(hydroxymethyl)phenyl]benzamide
SMILESCN1CCN(C)[C@@H](CNC(=O)c2ccc(-c3ccccc3CO)cc2)C1
InChIInChI=1S/C21H27N3O2/c1-23-11-12-24(2)19(14-23)13-22-21(26)17-9-7-16(8-10-17)20-6-4-3-5-18(20)15-25/h3-10,19,25H,11-15H2,1-2H3,(H,22,26)/t19-/m0/s1
InChIKeyQITQCTMLQWKLEK-IBGZPJMESA-N
XLogP1.82
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
CID 63884571
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(4-propylphenyl)benzamide
CID 121499620
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydroxy-3-methylbenzamide
CID 103957035
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-oxo-2,3-dihydroindene-4-carboxamide
CID 131902065
3-carbamothioyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
CID 63897121
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104917543
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrazole-4-carboxamide
CID 63897139
4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methoxybenzamide
CID 104782948
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 90649232
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)acetamide
CID 63898995
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-hydroxy-2-methylbenzamide
CID 82829349
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoropyridine-4-carboxamide
CID 63896737

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[2-(hydroxymethyl)phenyl]benzamide?
The IUPAC name of N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[2-(hydroxymethyl)phenyl]benzamide (CID 126449025) is N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[2-(hydroxymethyl)phenyl]benzamide.
What is the SMILES notation for N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[2-(hydroxymethyl)phenyl]benzamide?
The canonical SMILES for N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[2-(hydroxymethyl)phenyl]benzamide is CN1CCN(C)[C@@H](CNC(=O)c2ccc(-c3ccccc3CO)cc2)C1.
What is the InChIKey of N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[2-(hydroxymethyl)phenyl]benzamide?
The InChIKey is QITQCTMLQWKLEK-IBGZPJMESA-N. The full InChI is InChI=1S/C21H27N3O2/c1-23-11-12-24(2)19(14-23)13-22-21(26)17-9-7-16(8-10-17)20-6-4-3-5-18(20)15-25/h3-10,19,25H,11-15H2,1-2H3,(H,22,26)/t19-/m0/s1.
What are the key properties of N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[2-(hydroxymethyl)phenyl]benzamide?
N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[2-(hydroxymethyl)phenyl]benzamide has a molecular weight of 353.47 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[2-(hydroxymethyl)phenyl]benzamide is sourced from PubChem (CID 126449025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).