3-(4-aminobut-2-enyl)-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one

C15H23N3O — CID 57246408

IUPAC3-(4-aminobut-2-enyl)-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one
SMILESNCC=CCc1c(CN2CCCCC2)cc[nH]c1=O
InChIInChI=1S/C15H23N3O/c16-8-3-2-6-14-13(7-9-17-15(14)19)12-18-10-4-1-5-11-18/h2-3,7,9H,1,4-6,8,10-12,16H2,(H,17,19)
InChIKeyYWNQIVMCNKMWOO-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.42
Rot. Bonds5

About 3-(4-aminobut-2-enyl)-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one

3-(4-aminobut-2-enyl)-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one (PubChem CID 57246408) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-(4-aminobut-2-enyl)-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(4-aminobut-2-enyl)-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one
PubChem CID57246408
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-(4-aminobut-2-enyl)-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one
SMILESNCC=CCc1c(CN2CCCCC2)cc[nH]c1=O
InChIInChI=1S/C15H23N3O/c16-8-3-2-6-14-13(7-9-17-15(14)19)12-18-10-4-1-5-11-18/h2-3,7,9H,1,4-6,8,10-12,16H2,(H,17,19)
InChIKeyYWNQIVMCNKMWOO-UHFFFAOYSA-N
XLogP1.42
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2,5,6,7,8-Hexahydro-2,6-naphthyridin-1-one
CID 44118278
Piperidinomethyl pyridone
CID 59117160
4-(Piperidin-1-ylmethyl)pyridin-2-ol
CID 70413111
1-(Difluoromethyl)-4-piperidin-4-ylpyridin-2-one
CID 59627430
5-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one
CID 171826361
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
5-[2-(diethylamino)ethyl]-4-(fluoromethyl)-1H-pyridin-2-one
CID 178064131
1-Methyl-5-(4-methylaminobutyl)-2(1h)-pyridone
CID 129809803
7-methyl-5,8-dihydro-2H-isoquinolin-1-one
CID 134987076
4-(3-fluoropiperidin-4-yl)-1H-pyridin-2-one
CID 71433112
4-[[3-(fluoromethyl)piperidin-1-yl]methyl]-1H-pyridin-2-one
CID 137956856

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminobut-2-enyl)-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(4-aminobut-2-enyl)-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one (CID 57246408) is 3-(4-aminobut-2-enyl)-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(4-aminobut-2-enyl)-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(4-aminobut-2-enyl)-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one is NCC=CCc1c(CN2CCCCC2)cc[nH]c1=O.
What is the InChIKey of 3-(4-aminobut-2-enyl)-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one?
The InChIKey is YWNQIVMCNKMWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c16-8-3-2-6-14-13(7-9-17-15(14)19)12-18-10-4-1-5-11-18/h2-3,7,9H,1,4-6,8,10-12,16H2,(H,17,19).
What are the key properties of 3-(4-aminobut-2-enyl)-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one?
3-(4-aminobut-2-enyl)-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one has a molecular weight of 261.37 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminobut-2-enyl)-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one is sourced from PubChem (CID 57246408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).