5-amino-3-but-2-enyl-4-[(4-methylpiperidin-1-yl)methyl]-1H-pyridin-2-one

C16H25N3O — CID 57076169

IUPAC5-amino-3-but-2-enyl-4-[(4-methylpiperidin-1-yl)methyl]-1H-pyridin-2-one
SMILESCC=CCc1c(CN2CCC(C)CC2)c(N)c[nH]c1=O
InChIInChI=1S/C16H25N3O/c1-3-4-5-13-14(15(17)10-18-16(13)20)11-19-8-6-12(2)7-9-19/h3-4,10,12H,5-9,11,17H2,1-2H3,(H,18,20)
InChIKeyNSWGKESQTLBQSU-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.31
Rot. Bonds4

About 5-amino-3-but-2-enyl-4-[(4-methylpiperidin-1-yl)methyl]-1H-pyridin-2-one

5-amino-3-but-2-enyl-4-[(4-methylpiperidin-1-yl)methyl]-1H-pyridin-2-one (PubChem CID 57076169) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-amino-3-but-2-enyl-4-[(4-methylpiperidin-1-yl)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-amino-3-but-2-enyl-4-[(4-methylpiperidin-1-yl)methyl]-1H-pyridin-2-one
PubChem CID57076169
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name5-amino-3-but-2-enyl-4-[(4-methylpiperidin-1-yl)methyl]-1H-pyridin-2-one
SMILESCC=CCc1c(CN2CCC(C)CC2)c(N)c[nH]c1=O
InChIInChI=1S/C16H25N3O/c1-3-4-5-13-14(15(17)10-18-16(13)20)11-19-8-6-12(2)7-9-19/h3-4,10,12H,5-9,11,17H2,1-2H3,(H,18,20)
InChIKeyNSWGKESQTLBQSU-UHFFFAOYSA-N
XLogP2.31
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-3-but-2-enyl-4-[(4-methylpiperidin-1-yl)methyl]-1H-pyridin-2-one with MolForge

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Related Compounds

N-({1-[(2E)-2-methylpent-2-en-1-yl]piperidin-4-yl}methyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 56710306
7-(dimethylamino)-3,4-dimethyl-4a,8a-dihydro-1H-quinolin-2-one
CID 176468600
4-[1-[[(3S)-1-ethylpiperidin-3-yl]methyl]piperidin-4-yl]-1H-pyridin-2-one
CID 171359635
(E)-2-[1-[[(6E)-6-fluoro-3-methylideneocta-1,6-dien-2-yl]amino]ethyl]-N-[(3Z)-4-(2-methyl-1-azabicyclo[2.2.2]oct-2-en-3-yl)buta-1,3-dien-2-yl]but-2-enamide
CID 89221834
3-[(1-tert-butylpiperidin-4-yl)methyl]-4-fluoro-1H-pyridin-2-one
CID 90038587
3,9-dimethyl-2-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2-benzazepine-8-carboxamide
CID 123843475
(3E)-2-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]-N-(2,2,2-trifluoroethyl)cyclohexa-1,5-diene-1-carboxamide
CID 144747398
N-[(4-fluoropiperidin-4-yl)methyl]-3-methyl-2-propan-2-yl-3,4-dihydro-2-benzazepine-6-carboxamide
CID 144867763
5-[5-[(3E,5E)-6-fluorohexa-1,3,5-trien-3-yl]-4-methyl-2-oxo-1-pyridinyl]-N-methylcyclohexa-2,4-diene-1-carboxamide
CID 147443672
(3E,4E)-2-methyl-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]-4-propylidene-N-(2,2,2-trifluoroethyl)cyclohexa-1,5-diene-1-carboxamide
CID 163957088
1-(3-Fluoropiperidin-4-yl)-3-propan-2-ylpyridin-2-one
CID 177200058
1-[(3S,4R)-3-fluoropiperidin-4-yl]-3-propan-2-ylpyridin-2-one
CID 177200099

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-but-2-enyl-4-[(4-methylpiperidin-1-yl)methyl]-1H-pyridin-2-one?
The IUPAC name of 5-amino-3-but-2-enyl-4-[(4-methylpiperidin-1-yl)methyl]-1H-pyridin-2-one (CID 57076169) is 5-amino-3-but-2-enyl-4-[(4-methylpiperidin-1-yl)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-amino-3-but-2-enyl-4-[(4-methylpiperidin-1-yl)methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-amino-3-but-2-enyl-4-[(4-methylpiperidin-1-yl)methyl]-1H-pyridin-2-one is CC=CCc1c(CN2CCC(C)CC2)c(N)c[nH]c1=O.
What is the InChIKey of 5-amino-3-but-2-enyl-4-[(4-methylpiperidin-1-yl)methyl]-1H-pyridin-2-one?
The InChIKey is NSWGKESQTLBQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-4-5-13-14(15(17)10-18-16(13)20)11-19-8-6-12(2)7-9-19/h3-4,10,12H,5-9,11,17H2,1-2H3,(H,18,20).
What are the key properties of 5-amino-3-but-2-enyl-4-[(4-methylpiperidin-1-yl)methyl]-1H-pyridin-2-one?
5-amino-3-but-2-enyl-4-[(4-methylpiperidin-1-yl)methyl]-1H-pyridin-2-one has a molecular weight of 275.40 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-but-2-enyl-4-[(4-methylpiperidin-1-yl)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 57076169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).