(4-methylpiperazin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone

C14H20N4O — CID 109202285

IUPAC(4-methylpiperazin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone
SMILESC=CCNc1ccnc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C14H20N4O/c1-3-5-15-12-4-6-16-13(11-12)14(19)18-9-7-17(2)8-10-18/h3-4,6,11H,1,5,7-10H2,2H3,(H,15,16)
InChIKeySAIQEUNMRAXTFL-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.07
Rot. Bonds4

About (4-methylpiperazin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone

(4-methylpiperazin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone (PubChem CID 109202285) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone
PubChem CID109202285
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name(4-methylpiperazin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone
SMILESC=CCNc1ccnc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C14H20N4O/c1-3-5-15-12-4-6-16-13(11-12)14(19)18-9-7-17(2)8-10-18/h3-4,6,11H,1,5,7-10H2,2H3,(H,15,16)
InChIKeySAIQEUNMRAXTFL-UHFFFAOYSA-N
XLogP1.07
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-methylpiperazin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone with MolForge

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Related Compounds

ethyl 4-[4-(prop-2-enylamino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109202328
[4-(3-methylphenyl)piperazin-1-yl]-[4-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109202330
[4-(2-fluorophenyl)piperazin-1-yl]-[4-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109202334
[4-(3-chlorophenyl)piperazin-1-yl]-[4-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109202333
[4-(3-methylbutylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208113
(4-benzylpiperidin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109202348
[4-[(3-methylphenyl)methylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208062
(4-methylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109208075
[4-(3,5-dimethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208134
(4-methylpiperazin-1-yl)-[5-(prop-2-enylamino)pyrazin-2-yl]methanone
CID 109272158
[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208083
4-methyl-N-[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]benzenesulfonamide
CID 20873893

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone (CID 109202285) is (4-methylpiperazin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone is C=CCNc1ccnc(C(=O)N2CCN(C)CC2)c1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone?
The InChIKey is SAIQEUNMRAXTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-5-15-12-4-6-16-13(11-12)14(19)18-9-7-17(2)8-10-18/h3-4,6,11H,1,5,7-10H2,2H3,(H,15,16).
What are the key properties of (4-methylpiperazin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone?
(4-methylpiperazin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone has a molecular weight of 260.34 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 109202285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).