3-(3-methylimidazol-4-yl)-N-(2-methylpiperidin-3-yl)prop-2-enamide

C13H20N4O — CID 136556043

IUPAC3-(3-methylimidazol-4-yl)-N-(2-methylpiperidin-3-yl)prop-2-enamide
SMILESCC1NCCCC1NC(=O)C=Cc1cncn1C
InChIInChI=1S/C13H20N4O/c1-10-12(4-3-7-15-10)16-13(18)6-5-11-8-14-9-17(11)2/h5-6,8-10,12,15H,3-4,7H2,1-2H3,(H,16,18)
InChIKeyYNIDMZXDAMJPQE-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.69
Rot. Bonds3

About 3-(3-methylimidazol-4-yl)-N-(2-methylpiperidin-3-yl)prop-2-enamide

3-(3-methylimidazol-4-yl)-N-(2-methylpiperidin-3-yl)prop-2-enamide (PubChem CID 136556043) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(3-methylimidazol-4-yl)-N-(2-methylpiperidin-3-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(3-methylimidazol-4-yl)-N-(2-methylpiperidin-3-yl)prop-2-enamide
PubChem CID136556043
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3-(3-methylimidazol-4-yl)-N-(2-methylpiperidin-3-yl)prop-2-enamide
SMILESCC1NCCCC1NC(=O)C=Cc1cncn1C
InChIInChI=1S/C13H20N4O/c1-10-12(4-3-7-15-10)16-13(18)6-5-11-8-14-9-17(11)2/h5-6,8-10,12,15H,3-4,7H2,1-2H3,(H,16,18)
InChIKeyYNIDMZXDAMJPQE-UHFFFAOYSA-N
XLogP0.69
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpiperidin-3-yl)hexa-2,4-dienamide
CID 104941383
4-methyl-N-(2-methylpiperidin-3-yl)-1,2-oxazole-5-carboxamide
CID 114695110
5-fluoro-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide;dihydrochloride
CID 120576822
2-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride
CID 120576916
N-[(2S,3S)-2-methylpiperidin-3-yl]but-3-enamide
CID 130763417
3-methyl-N-[(2S,3S)-2-methylpiperidin-3-yl]benzamide
CID 124515685
3,6-dimethyl-N-(2-methylpiperidin-3-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide;hydrochloride
CID 120576626
1,1-dimethyl-3-[(2R,3R)-2-methylpiperidin-3-yl]urea
CID 118114950
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
2-methyl-N-(3-methyltriazol-4-yl)piperidin-3-amine
CID 130486758
(E)-N-[(1R,2R)-2-hydroxycyclohexyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 104927951
1-(4-fluorophenyl)-3-(2-methylpiperidin-3-yl)urea
CID 79044134

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylimidazol-4-yl)-N-(2-methylpiperidin-3-yl)prop-2-enamide?
The IUPAC name of 3-(3-methylimidazol-4-yl)-N-(2-methylpiperidin-3-yl)prop-2-enamide (CID 136556043) is 3-(3-methylimidazol-4-yl)-N-(2-methylpiperidin-3-yl)prop-2-enamide.
What is the SMILES notation for 3-(3-methylimidazol-4-yl)-N-(2-methylpiperidin-3-yl)prop-2-enamide?
The canonical SMILES for 3-(3-methylimidazol-4-yl)-N-(2-methylpiperidin-3-yl)prop-2-enamide is CC1NCCCC1NC(=O)C=Cc1cncn1C.
What is the InChIKey of 3-(3-methylimidazol-4-yl)-N-(2-methylpiperidin-3-yl)prop-2-enamide?
The InChIKey is YNIDMZXDAMJPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10-12(4-3-7-15-10)16-13(18)6-5-11-8-14-9-17(11)2/h5-6,8-10,12,15H,3-4,7H2,1-2H3,(H,16,18).
What are the key properties of 3-(3-methylimidazol-4-yl)-N-(2-methylpiperidin-3-yl)prop-2-enamide?
3-(3-methylimidazol-4-yl)-N-(2-methylpiperidin-3-yl)prop-2-enamide has a molecular weight of 248.33 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylimidazol-4-yl)-N-(2-methylpiperidin-3-yl)prop-2-enamide is sourced from PubChem (CID 136556043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).