N,2-dimethyl-5-oxopentanamide;3-(2-methylbutyl)-1-piperidin-4-yl-4-prop-1-en-2-ylpyridin-2-one

C25H41N3O3 — CID 171497798

IUPACN,2-dimethyl-5-oxopentanamide;3-(2-methylbutyl)-1-piperidin-4-yl-4-prop-1-en-2-ylpyridin-2-one
SMILESC=C(C)c1ccn(C2CCNCC2)c(=O)c1CC(C)CC.CNC(=O)C(C)CCC=O
InChIInChI=1S/C18H28N2O.C7H13NO2/c1-5-14(4)12-17-16(13(2)3)8-11-20(18(17)21)15-6-9-19-10-7-15;1-6(4-3-5-9)7(10)8-2/h8,11,14-15,19H,2,5-7,9-10,12H2,1,3-4H3;5-6H,3-4H2,1-2H3,(H,8,10)
InChIKeyGMGCWWIWUAXJKC-UHFFFAOYSA-N
MW431.62 g/mol
LogP3.74
Rot. Bonds9

About N,2-dimethyl-5-oxopentanamide;3-(2-methylbutyl)-1-piperidin-4-yl-4-prop-1-en-2-ylpyridin-2-one

N,2-dimethyl-5-oxopentanamide;3-(2-methylbutyl)-1-piperidin-4-yl-4-prop-1-en-2-ylpyridin-2-one (PubChem CID 171497798) has the molecular formula C25H41N3O3 and a molecular weight of 431.62 g/mol. Its IUPAC name is N,2-dimethyl-5-oxopentanamide;3-(2-methylbutyl)-1-piperidin-4-yl-4-prop-1-en-2-ylpyridin-2-one.

Molecular Properties

Compound NameN,2-dimethyl-5-oxopentanamide;3-(2-methylbutyl)-1-piperidin-4-yl-4-prop-1-en-2-ylpyridin-2-one
PubChem CID171497798
Molecular FormulaC25H41N3O3
Molecular Weight431.62 g/mol
Exact Mass431.31
IUPAC NameN,2-dimethyl-5-oxopentanamide;3-(2-methylbutyl)-1-piperidin-4-yl-4-prop-1-en-2-ylpyridin-2-one
SMILESC=C(C)c1ccn(C2CCNCC2)c(=O)c1CC(C)CC.CNC(=O)C(C)CCC=O
InChIInChI=1S/C18H28N2O.C7H13NO2/c1-5-14(4)12-17-16(13(2)3)8-11-20(18(17)21)15-6-9-19-10-7-15;1-6(4-3-5-9)7(10)8-2/h8,11,14-15,19H,2,5-7,9-10,12H2,1,3-4H3;5-6H,3-4H2,1-2H3,(H,8,10)
InChIKeyGMGCWWIWUAXJKC-UHFFFAOYSA-N
XLogP3.74
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.62
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-oxopentanamide;3-(2-methylbutyl)-1-piperidin-4-yl-4-prop-1-en-2-ylpyridin-2-one?
The IUPAC name of N,2-dimethyl-5-oxopentanamide;3-(2-methylbutyl)-1-piperidin-4-yl-4-prop-1-en-2-ylpyridin-2-one (CID 171497798) is N,2-dimethyl-5-oxopentanamide;3-(2-methylbutyl)-1-piperidin-4-yl-4-prop-1-en-2-ylpyridin-2-one.
What is the SMILES notation for N,2-dimethyl-5-oxopentanamide;3-(2-methylbutyl)-1-piperidin-4-yl-4-prop-1-en-2-ylpyridin-2-one?
The canonical SMILES for N,2-dimethyl-5-oxopentanamide;3-(2-methylbutyl)-1-piperidin-4-yl-4-prop-1-en-2-ylpyridin-2-one is C=C(C)c1ccn(C2CCNCC2)c(=O)c1CC(C)CC.CNC(=O)C(C)CCC=O.
What is the InChIKey of N,2-dimethyl-5-oxopentanamide;3-(2-methylbutyl)-1-piperidin-4-yl-4-prop-1-en-2-ylpyridin-2-one?
The InChIKey is GMGCWWIWUAXJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.C7H13NO2/c1-5-14(4)12-17-16(13(2)3)8-11-20(18(17)21)15-6-9-19-10-7-15;1-6(4-3-5-9)7(10)8-2/h8,11,14-15,19H,2,5-7,9-10,12H2,1,3-4H3;5-6H,3-4H2,1-2H3,(H,8,10).
What are the key properties of N,2-dimethyl-5-oxopentanamide;3-(2-methylbutyl)-1-piperidin-4-yl-4-prop-1-en-2-ylpyridin-2-one?
N,2-dimethyl-5-oxopentanamide;3-(2-methylbutyl)-1-piperidin-4-yl-4-prop-1-en-2-ylpyridin-2-one has a molecular weight of 431.62 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-oxopentanamide;3-(2-methylbutyl)-1-piperidin-4-yl-4-prop-1-en-2-ylpyridin-2-one is sourced from PubChem (CID 171497798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).