3-[(2R)-4-(2-methoxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide

C16H25N3O2 — CID 95826819

IUPAC3-[(2R)-4-(2-methoxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc([C@@H]2CN(CCOC)CCN2C)c1
InChIInChI=1S/C16H25N3O2/c1-17-16(20)14-6-4-5-13(11-14)15-12-19(9-10-21-3)8-7-18(15)2/h4-6,11,15H,7-10,12H2,1-3H3,(H,17,20)/t15-/m0/s1
InChIKeyCKVUTUUNVCTTKI-HNNXBMFYSA-N
MW291.40 g/mol
LogP0.98
Rot. Bonds5

About 3-[(2R)-4-(2-methoxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide

3-[(2R)-4-(2-methoxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide (PubChem CID 95826819) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-[(2R)-4-(2-methoxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(2R)-4-(2-methoxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide
PubChem CID95826819
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name3-[(2R)-4-(2-methoxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc([C@@H]2CN(CCOC)CCN2C)c1
InChIInChI=1S/C16H25N3O2/c1-17-16(20)14-6-4-5-13(11-14)15-12-19(9-10-21-3)8-7-18(15)2/h4-6,11,15H,7-10,12H2,1-3H3,(H,17,20)/t15-/m0/s1
InChIKeyCKVUTUUNVCTTKI-HNNXBMFYSA-N
XLogP0.98
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-hydroxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 110258018
3-[(2R)-4-[2-(benzhydrylamino)-2-oxoethyl]-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 129456366
N-methyl-3-[(2S)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]benzamide
CID 125001060
3-[(2R)-4-ethylsulfonyl-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 125007656
N-methyl-3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)benzamide
CID 110258484
formic acid;N-methyl-3-[1-methyl-4-[(3-methyl-2-pyridinyl)methyl]piperazin-2-yl]benzamide
CID 171688369
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
3-[4-[2-(3-chloro-4-morpholin-4-ylanilino)-2-oxoethyl]-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 110122298
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-(pyridine-2-carbonyl)piperazin-2-yl]benzamide
CID 124942684
N-methyl-3-[(2S)-1-methyl-4-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]piperazin-2-yl]benzamide
CID 124941690

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-(2-methoxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide?
The IUPAC name of 3-[(2R)-4-(2-methoxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide (CID 95826819) is 3-[(2R)-4-(2-methoxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[(2R)-4-(2-methoxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide?
The canonical SMILES for 3-[(2R)-4-(2-methoxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide is CNC(=O)c1cccc([C@@H]2CN(CCOC)CCN2C)c1.
What is the InChIKey of 3-[(2R)-4-(2-methoxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide?
The InChIKey is CKVUTUUNVCTTKI-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-17-16(20)14-6-4-5-13(11-14)15-12-19(9-10-21-3)8-7-18(15)2/h4-6,11,15H,7-10,12H2,1-3H3,(H,17,20)/t15-/m0/s1.
What are the key properties of 3-[(2R)-4-(2-methoxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide?
3-[(2R)-4-(2-methoxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide has a molecular weight of 291.40 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-4-(2-methoxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide is sourced from PubChem (CID 95826819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).