N-methyl-3-[(2S)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]benzamide

C19H24N4O — CID 125001060

IUPACN-methyl-3-[(2S)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]benzamide
SMILESCNC(=O)c1cccc([C@H]2CN(Cc3ccccn3)CCN2C)c1
InChIInChI=1S/C19H24N4O/c1-20-19(24)16-7-5-6-15(12-16)18-14-23(11-10-22(18)2)13-17-8-3-4-9-21-17/h3-9,12,18H,10-11,13-14H2,1-2H3,(H,20,24)/t18-/m1/s1
InChIKeySADXEMBOGSVBIF-GOSISDBHSA-N
MW324.43 g/mol
LogP1.93
Rot. Bonds4

About N-methyl-3-[(2S)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]benzamide

N-methyl-3-[(2S)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]benzamide (PubChem CID 125001060) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-methyl-3-[(2S)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[(2S)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]benzamide
PubChem CID125001060
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-methyl-3-[(2S)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]benzamide
SMILESCNC(=O)c1cccc([C@H]2CN(Cc3ccccn3)CCN2C)c1
InChIInChI=1S/C19H24N4O/c1-20-19(24)16-7-5-6-15(12-16)18-14-23(11-10-22(18)2)13-17-8-3-4-9-21-17/h3-9,12,18H,10-11,13-14H2,1-2H3,(H,20,24)/t18-/m1/s1
InChIKeySADXEMBOGSVBIF-GOSISDBHSA-N
XLogP1.93
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

formic acid;N-methyl-3-[1-methyl-4-[(3-methyl-2-pyridinyl)methyl]piperazin-2-yl]benzamide
CID 171688369
3-[4-(2-hydroxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 110258018
N-methyl-3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)benzamide
CID 110258484
3-[(2R)-4-(2-methoxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 95826819
N-methyl-3-[(2R)-1-methyl-4-(pyridine-2-carbonyl)piperazin-2-yl]benzamide
CID 124942684
3-[(2R)-4-[2-(benzhydrylamino)-2-oxoethyl]-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 129456366
3-[(2R)-4-ethylsulfonyl-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 125007656
(2S)-2-(4-methoxyphenyl)-1-methyl-4-(pyridin-2-ylmethyl)piperazine
CID 124976190
3-[(2R)-4-[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 129459345
N-methyl-3-[(2R)-1-methyl-4-propan-2-ylsulfonylpiperazin-2-yl]benzamide
CID 124984397
3-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 110122390
N-cyclopentyl-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134068907

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2S)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]benzamide?
The IUPAC name of N-methyl-3-[(2S)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]benzamide (CID 125001060) is N-methyl-3-[(2S)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]benzamide.
What is the SMILES notation for N-methyl-3-[(2S)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]benzamide?
The canonical SMILES for N-methyl-3-[(2S)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]benzamide is CNC(=O)c1cccc([C@H]2CN(Cc3ccccn3)CCN2C)c1.
What is the InChIKey of N-methyl-3-[(2S)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]benzamide?
The InChIKey is SADXEMBOGSVBIF-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24N4O/c1-20-19(24)16-7-5-6-15(12-16)18-14-23(11-10-22(18)2)13-17-8-3-4-9-21-17/h3-9,12,18H,10-11,13-14H2,1-2H3,(H,20,24)/t18-/m1/s1.
What are the key properties of N-methyl-3-[(2S)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]benzamide?
N-methyl-3-[(2S)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]benzamide has a molecular weight of 324.43 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2S)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]benzamide is sourced from PubChem (CID 125001060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).