3-(4-aminobut-2-enyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one

C15H24N4O — CID 57142596

IUPAC3-(4-aminobut-2-enyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one
SMILESCN1CCN(Cc2cc[nH]c(=O)c2CC=CCN)CC1
InChIInChI=1S/C15H24N4O/c1-18-8-10-19(11-9-18)12-13-5-7-17-15(20)14(13)4-2-3-6-16/h2-3,5,7H,4,6,8-12,16H2,1H3,(H,17,20)
InChIKeyOOLLQELGSAYPIN-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.18
Rot. Bonds5

About 3-(4-aminobut-2-enyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one

3-(4-aminobut-2-enyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one (PubChem CID 57142596) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(4-aminobut-2-enyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(4-aminobut-2-enyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one
PubChem CID57142596
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3-(4-aminobut-2-enyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one
SMILESCN1CCN(Cc2cc[nH]c(=O)c2CC=CCN)CC1
InChIInChI=1S/C15H24N4O/c1-18-8-10-19(11-9-18)12-13-5-7-17-15(20)14(13)4-2-3-6-16/h2-3,5,7H,4,6,8-12,16H2,1H3,(H,17,20)
InChIKeyOOLLQELGSAYPIN-UHFFFAOYSA-N
XLogP0.18
TPSA65.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-1-yl]acetamide
CID 75460687
Cyclohexa-1,5-dien-1-yl(piperazin-1-yl)methanone
CID 17804451
1-[2-(Ethylamino)ethyl]-3-propan-2-ylpyridin-2-one
CID 20605483
3-Propan-2-yl-1-[2-(propylamino)ethyl]pyridin-2-one
CID 20605549
2-Methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-1(2H)-one
CID 21071182
(5-Methylidenecyclohexa-1,3-dien-1-yl)-piperazin-1-ylmethanone
CID 21257349
Cyclopenta-1,3-dien-1-yl(piperazin-1-yl)methanone
CID 23543763
1'-methyl-1',2',3',6'-tetrahydro-1H-[4,4]bipyridinyl-2-one
CID 53750273
(3-Methylidenecyclohexa-1,5-dien-1-yl)-piperazin-1-ylmethanone
CID 54550279
3-(4-aminobut-2-enyl)-4-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one
CID 56990750
5-amino-3-but-2-enyl-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one
CID 56990861
3-(4-aminobut-2-enyl)-4-[(dimethylamino)methyl]-1H-pyridin-2-one
CID 57034420

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminobut-2-enyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one?
The IUPAC name of 3-(4-aminobut-2-enyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one (CID 57142596) is 3-(4-aminobut-2-enyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-(4-aminobut-2-enyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one?
The canonical SMILES for 3-(4-aminobut-2-enyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one is CN1CCN(Cc2cc[nH]c(=O)c2CC=CCN)CC1.
What is the InChIKey of 3-(4-aminobut-2-enyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one?
The InChIKey is OOLLQELGSAYPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-18-8-10-19(11-9-18)12-13-5-7-17-15(20)14(13)4-2-3-6-16/h2-3,5,7H,4,6,8-12,16H2,1H3,(H,17,20).
What are the key properties of 3-(4-aminobut-2-enyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one?
3-(4-aminobut-2-enyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one has a molecular weight of 276.38 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminobut-2-enyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 57142596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).