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

C15H23N3O2 — CID 110258018

IUPAC3-[4-(2-hydroxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(C2CN(CCO)CCN2C)c1
InChIInChI=1S/C15H23N3O2/c1-16-15(20)13-5-3-4-12(10-13)14-11-18(8-9-19)7-6-17(14)2/h3-5,10,14,19H,6-9,11H2,1-2H3,(H,16,20)
InChIKeyYNDKVUGIOYUMRF-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.33
Rot. Bonds4

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

3-[4-(2-hydroxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide (PubChem CID 110258018) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[4-(2-hydroxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide
PubChem CID110258018
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[4-(2-hydroxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(C2CN(CCO)CCN2C)c1
InChIInChI=1S/C15H23N3O2/c1-16-15(20)13-5-3-4-12(10-13)14-11-18(8-9-19)7-6-17(14)2/h3-5,10,14,19H,6-9,11H2,1-2H3,(H,16,20)
InChIKeyYNDKVUGIOYUMRF-UHFFFAOYSA-N
XLogP0.33
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R)-4-(2-methoxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 95826819
N-methyl-3-[(2S)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]benzamide
CID 125001060
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
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-[1-methyl-4-[4-methyl-3-(pyridin-4-ylmethylamino)benzoyl]piperazin-2-yl]benzamide
CID 110151359

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide?
The IUPAC name of 3-[4-(2-hydroxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide (CID 110258018) is 3-[4-(2-hydroxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[4-(2-hydroxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide?
The canonical SMILES for 3-[4-(2-hydroxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide is CNC(=O)c1cccc(C2CN(CCO)CCN2C)c1.
What is the InChIKey of 3-[4-(2-hydroxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide?
The InChIKey is YNDKVUGIOYUMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-16-15(20)13-5-3-4-12(10-13)14-11-18(8-9-19)7-6-17(14)2/h3-5,10,14,19H,6-9,11H2,1-2H3,(H,16,20).
What are the key properties of 3-[4-(2-hydroxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide?
3-[4-(2-hydroxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide has a molecular weight of 277.37 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide is sourced from PubChem (CID 110258018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).