5-amino-3-but-2-enyl-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one

C15H23N3O — CID 57221762

IUPAC5-amino-3-but-2-enyl-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one
SMILESCC=CCc1c(CN2CCCCC2)c(N)c[nH]c1=O
InChIInChI=1S/C15H23N3O/c1-2-3-7-12-13(14(16)10-17-15(12)19)11-18-8-5-4-6-9-18/h2-3,10H,4-9,11,16H2,1H3,(H,17,19)
InChIKeyPRSVOSHYPFOUJK-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.06
Rot. Bonds4

About 5-amino-3-but-2-enyl-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one

5-amino-3-but-2-enyl-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one (PubChem CID 57221762) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-amino-3-but-2-enyl-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-amino-3-but-2-enyl-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one
PubChem CID57221762
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name5-amino-3-but-2-enyl-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one
SMILESCC=CCc1c(CN2CCCCC2)c(N)c[nH]c1=O
InChIInChI=1S/C15H23N3O/c1-2-3-7-12-13(14(16)10-17-15(12)19)11-18-8-5-4-6-9-18/h2-3,10H,4-9,11,16H2,1H3,(H,17,19)
InChIKeyPRSVOSHYPFOUJK-UHFFFAOYSA-N
XLogP2.06
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.06
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

4-(Piperidin-1-ylmethyl)pyridin-2-ol
CID 70413111
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
1-Methyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one
CID 10154206
6-butyl-3-(piperidin-1-ylmethyl)-1H-pyridin-2-one
CID 19012302
4-(1-methyl-6-oxo-2,5-dihydropyridin-4-yl)-1H-pyridin-2-one
CID 22127296
7-(Tert-butyl)-5,6,7,8-tetrahydro-2,7-naphthyridin-3-OL
CID 44227678
1'-methyl-1',2',3',6'-tetrahydro-1H-[4,4]bipyridinyl-2-one
CID 53750273
1-Methyl-6-piperidin-4-ylpyridin-2-one
CID 55265200
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
3-(3-aminopropyl)-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one
CID 57042994

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-but-2-enyl-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one?
The IUPAC name of 5-amino-3-but-2-enyl-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one (CID 57221762) is 5-amino-3-but-2-enyl-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-amino-3-but-2-enyl-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-amino-3-but-2-enyl-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one is CC=CCc1c(CN2CCCCC2)c(N)c[nH]c1=O.
What is the InChIKey of 5-amino-3-but-2-enyl-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one?
The InChIKey is PRSVOSHYPFOUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-3-7-12-13(14(16)10-17-15(12)19)11-18-8-5-4-6-9-18/h2-3,10H,4-9,11,16H2,1H3,(H,17,19).
What are the key properties of 5-amino-3-but-2-enyl-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one?
5-amino-3-but-2-enyl-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one has a molecular weight of 261.37 g/mol, XLogP of 2.06, 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-(piperidin-1-ylmethyl)-1H-pyridin-2-one is sourced from PubChem (CID 57221762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).