4-[[(2R)-2-methylpiperazin-1-yl]methyl]benzamide

C13H19N3O — CID 82713644

IUPAC4-[[(2R)-2-methylpiperazin-1-yl]methyl]benzamide
SMILESC[C@@H]1CNCCN1Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H19N3O/c1-10-8-15-6-7-16(10)9-11-2-4-12(5-3-11)13(14)17/h2-5,10,15H,6-9H2,1H3,(H2,14,17)/t10-/m1/s1
InChIKeyBNHJASWTLQAYMV-SNVBAGLBSA-N
MW233.31 g/mol
LogP0.58
Rot. Bonds3

About 4-[[(2R)-2-methylpiperazin-1-yl]methyl]benzamide

4-[[(2R)-2-methylpiperazin-1-yl]methyl]benzamide (PubChem CID 82713644) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-[[(2R)-2-methylpiperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[(2R)-2-methylpiperazin-1-yl]methyl]benzamide
PubChem CID82713644
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-[[(2R)-2-methylpiperazin-1-yl]methyl]benzamide
SMILESC[C@@H]1CNCCN1Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H19N3O/c1-10-8-15-6-7-16(10)9-11-2-4-12(5-3-11)13(14)17/h2-5,10,15H,6-9H2,1H3,(H2,14,17)/t10-/m1/s1
InChIKeyBNHJASWTLQAYMV-SNVBAGLBSA-N
XLogP0.58
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2S)-2-methylpiperazin-1-yl]methyl]benzoic acid;hydrochloride
CID 135156370
1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 119916408
4-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]benzamide;hydrochloride
CID 120758148
4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide
CID 120910369
(2S)-2-methyl-1-(pyridin-4-ylmethyl)piperazine
CID 82756317
4-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-nitrobenzamide
CID 82713213
2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 50999929
1-[(4-carbamoylphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745166
(2S)-1-[(3-chloro-4-methylphenyl)methyl]-2-methylpiperazine;hydrochloride
CID 120839112
(2R)-1-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine
CID 95656909
1-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpiperazine
CID 82299031
(2S)-2-methyl-1-(thiophen-3-ylmethyl)piperazine
CID 82755314

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-methylpiperazin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[(2R)-2-methylpiperazin-1-yl]methyl]benzamide (CID 82713644) is 4-[[(2R)-2-methylpiperazin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[(2R)-2-methylpiperazin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[(2R)-2-methylpiperazin-1-yl]methyl]benzamide is C[C@@H]1CNCCN1Cc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[(2R)-2-methylpiperazin-1-yl]methyl]benzamide?
The InChIKey is BNHJASWTLQAYMV-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-8-15-6-7-16(10)9-11-2-4-12(5-3-11)13(14)17/h2-5,10,15H,6-9H2,1H3,(H2,14,17)/t10-/m1/s1.
What are the key properties of 4-[[(2R)-2-methylpiperazin-1-yl]methyl]benzamide?
4-[[(2R)-2-methylpiperazin-1-yl]methyl]benzamide has a molecular weight of 233.31 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-methylpiperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 82713644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).