2-methyl-3-piperazin-1-yl-N-prop-2-enylbenzamide

C15H21N3O — CID 28749260

IUPAC2-methyl-3-piperazin-1-yl-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(N2CCNCC2)c1C
InChIInChI=1S/C15H21N3O/c1-3-7-17-15(19)13-5-4-6-14(12(13)2)18-10-8-16-9-11-18/h3-6,16H,1,7-11H2,2H3,(H,17,19)
InChIKeyQLYRTAFENCLKFY-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.32
Rot. Bonds4

About 2-methyl-3-piperazin-1-yl-N-prop-2-enylbenzamide

2-methyl-3-piperazin-1-yl-N-prop-2-enylbenzamide (PubChem CID 28749260) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-methyl-3-piperazin-1-yl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-methyl-3-piperazin-1-yl-N-prop-2-enylbenzamide
PubChem CID28749260
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-methyl-3-piperazin-1-yl-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(N2CCNCC2)c1C
InChIInChI=1S/C15H21N3O/c1-3-7-17-15(19)13-5-4-6-14(12(13)2)18-10-8-16-9-11-18/h3-6,16H,1,7-11H2,2H3,(H,17,19)
InChIKeyQLYRTAFENCLKFY-UHFFFAOYSA-N
XLogP1.32
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-piperazin-1-yl-N-prop-2-enylbenzamide
CID 35752648
3-amino-2-methyl-N-prop-2-enylbenzamide
CID 28723067
(2-methyl-3-piperazin-1-ylphenyl)-pyrrolidin-1-ylmethanone
CID 28749270
2-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-N-prop-2-enylbenzamide
CID 46037766
N-pentyl-2-piperazin-1-ylbenzamide
CID 35752714
(2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 9460026
(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 9460029
N-methyl-2-piperazin-1-ylbenzamide;dihydrochloride
CID 140869989
2,3-dihydroxy-N-prop-2-enylbenzamide
CID 67915131
2-(methylcarbamoyl)-3-piperazin-1-ylbenzoic acid
CID 175568528
N-(2,2-dimethylpent-4-enyl)-N-methyl-2-piperazin-1-ylbenzamide
CID 145429033
2-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-morpholin-4-ylbenzamide
CID 92626787

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-piperazin-1-yl-N-prop-2-enylbenzamide?
The IUPAC name of 2-methyl-3-piperazin-1-yl-N-prop-2-enylbenzamide (CID 28749260) is 2-methyl-3-piperazin-1-yl-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-methyl-3-piperazin-1-yl-N-prop-2-enylbenzamide?
The canonical SMILES for 2-methyl-3-piperazin-1-yl-N-prop-2-enylbenzamide is C=CCNC(=O)c1cccc(N2CCNCC2)c1C.
What is the InChIKey of 2-methyl-3-piperazin-1-yl-N-prop-2-enylbenzamide?
The InChIKey is QLYRTAFENCLKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-7-17-15(19)13-5-4-6-14(12(13)2)18-10-8-16-9-11-18/h3-6,16H,1,7-11H2,2H3,(H,17,19).
What are the key properties of 2-methyl-3-piperazin-1-yl-N-prop-2-enylbenzamide?
2-methyl-3-piperazin-1-yl-N-prop-2-enylbenzamide has a molecular weight of 259.35 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-piperazin-1-yl-N-prop-2-enylbenzamide is sourced from PubChem (CID 28749260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).