N-methyl-3-[(2S)-1-(pyridin-3-ylmethyl)piperazin-2-yl]benzamide

C18H22N4O — CID 124952417

IUPACN-methyl-3-[(2S)-1-(pyridin-3-ylmethyl)piperazin-2-yl]benzamide
SMILESCNC(=O)c1cccc([C@H]2CNCCN2Cc2cccnc2)c1
InChIInChI=1S/C18H22N4O/c1-19-18(23)16-6-2-5-15(10-16)17-12-21-8-9-22(17)13-14-4-3-7-20-11-14/h2-7,10-11,17,21H,8-9,12-13H2,1H3,(H,19,23)/t17-/m1/s1
InChIKeyDODAFLAYTFXLDI-QGZVFWFLSA-N
MW310.40 g/mol
LogP1.59
Rot. Bonds4

About N-methyl-3-[(2S)-1-(pyridin-3-ylmethyl)piperazin-2-yl]benzamide

N-methyl-3-[(2S)-1-(pyridin-3-ylmethyl)piperazin-2-yl]benzamide (PubChem CID 124952417) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-methyl-3-[(2S)-1-(pyridin-3-ylmethyl)piperazin-2-yl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[(2S)-1-(pyridin-3-ylmethyl)piperazin-2-yl]benzamide
PubChem CID124952417
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-methyl-3-[(2S)-1-(pyridin-3-ylmethyl)piperazin-2-yl]benzamide
SMILESCNC(=O)c1cccc([C@H]2CNCCN2Cc2cccnc2)c1
InChIInChI=1S/C18H22N4O/c1-19-18(23)16-6-2-5-15(10-16)17-12-21-8-9-22(17)13-14-4-3-7-20-11-14/h2-7,10-11,17,21H,8-9,12-13H2,1H3,(H,19,23)/t17-/m1/s1
InChIKeyDODAFLAYTFXLDI-QGZVFWFLSA-N
XLogP1.59
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-3-[(2S)-1-(pyridin-3-ylmethyl)piperazin-2-yl]benzamide 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

3-[1-[(4-fluorophenyl)methyl]piperazin-2-yl]-N-methylbenzamide
CID 110109482
N-methyl-3-[(2S)-1-[(3-methylimidazol-4-yl)methyl]piperazin-2-yl]benzamide
CID 124972395
2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine
CID 120780257
N-methyl-3-[(2R)-1-[(1-methylpyrazol-3-yl)methyl]piperazin-2-yl]benzamide
CID 125018311
N-methyl-3-[1-[(1-methylpyrazol-3-yl)methyl]piperazin-2-yl]benzamide
CID 110109471
N-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperazin-2-yl]benzamide
CID 124962672
3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]-N-methylbenzamide
CID 110109496
N-methyl-3-[(2R)-1-(oxan-4-ylmethyl)piperazin-2-yl]benzamide
CID 124968626
methyl 4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]benzoate;hydrochloride
CID 120767725
1-[(3-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768370
methyl 4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1H-pyrrole-2-carboxylate
CID 120767862
3-[1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide
CID 110122364

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2S)-1-(pyridin-3-ylmethyl)piperazin-2-yl]benzamide?
The IUPAC name of N-methyl-3-[(2S)-1-(pyridin-3-ylmethyl)piperazin-2-yl]benzamide (CID 124952417) is N-methyl-3-[(2S)-1-(pyridin-3-ylmethyl)piperazin-2-yl]benzamide.
What is the SMILES notation for N-methyl-3-[(2S)-1-(pyridin-3-ylmethyl)piperazin-2-yl]benzamide?
The canonical SMILES for N-methyl-3-[(2S)-1-(pyridin-3-ylmethyl)piperazin-2-yl]benzamide is CNC(=O)c1cccc([C@H]2CNCCN2Cc2cccnc2)c1.
What is the InChIKey of N-methyl-3-[(2S)-1-(pyridin-3-ylmethyl)piperazin-2-yl]benzamide?
The InChIKey is DODAFLAYTFXLDI-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22N4O/c1-19-18(23)16-6-2-5-15(10-16)17-12-21-8-9-22(17)13-14-4-3-7-20-11-14/h2-7,10-11,17,21H,8-9,12-13H2,1H3,(H,19,23)/t17-/m1/s1.
What are the key properties of N-methyl-3-[(2S)-1-(pyridin-3-ylmethyl)piperazin-2-yl]benzamide?
N-methyl-3-[(2S)-1-(pyridin-3-ylmethyl)piperazin-2-yl]benzamide has a molecular weight of 310.40 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2S)-1-(pyridin-3-ylmethyl)piperazin-2-yl]benzamide is sourced from PubChem (CID 124952417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).