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'}

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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).