3-butyl-4-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-1-methylpiperazin-2-one

C17H27N3O2 — CID 70778478

IUPAC3-butyl-4-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-1-methylpiperazin-2-one
SMILESCCCCC1C(=O)N(C)CCN1Cc1[nH]cc(C)c(=O)c1C
InChIInChI=1S/C17H27N3O2/c1-5-6-7-15-17(22)19(4)8-9-20(15)11-14-13(3)16(21)12(2)10-18-14/h10,15H,5-9,11H2,1-4H3,(H,18,21)
InChIKeyACAWEVGWFLCUMH-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.82
Rot. Bonds5

About 3-butyl-4-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-1-methylpiperazin-2-one

3-butyl-4-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-1-methylpiperazin-2-one (PubChem CID 70778478) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-butyl-4-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name3-butyl-4-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-1-methylpiperazin-2-one
PubChem CID70778478
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name3-butyl-4-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-1-methylpiperazin-2-one
SMILESCCCCC1C(=O)N(C)CCN1Cc1[nH]cc(C)c(=O)c1C
InChIInChI=1S/C17H27N3O2/c1-5-6-7-15-17(22)19(4)8-9-20(15)11-14-13(3)16(21)12(2)10-18-14/h10,15H,5-9,11H2,1-4H3,(H,18,21)
InChIKeyACAWEVGWFLCUMH-UHFFFAOYSA-N
XLogP1.82
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-butyl-4-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-1-methylpiperazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

2-({2-[2-(Dimethylamino)ethyl]-1-piperidinyl}methyl)-3,5-dimethyl-4-pyridinol
CID 56895631
N-butyl-2-[[(4-hydroxy-3,5-dimethyl-2-pyridinyl)methyl](methyl)amino]acetamide
CID 91842484
N-{1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl}-1,6-dimethyl-4-oxo-1,4-dihydropyridine-3-carboxamide
CID 118782015
N-[(4-hydroxy-3,5-dimethylpyridin-2-yl)methyl]-2-(1-isopropyl-3-oxopiperazin-2-yl)acetamide
CID 50964429
1-(cyclohexylcarbonyl)-N-[(4-hydroxy-3,5-dimethylpyridin-2-yl)methyl]pyrrolidine-2-carboxamide
CID 50973488
3-Butyl-1-methyl-4-[(6-oxo-1,6-dihydropyridin-3-yl)carbonyl]piperazin-2-one
CID 56711658
1-{1-[(4-Hydroxy-3,5-dimethyl-2-pyridinyl)methyl]-3-piperidinyl}-2-pyrrolidinone
CID 56868714
N-[1-[[(E)-2,5-dimethyl-6-oxo-6-(propan-2-ylamino)hex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
CID 21032179
6-Acetyl-3-(methylamino)-6,7,8,9-tetrahydroquinolizin-4-one
CID 54274885
(2R)-N-[(2S)-1-[[(E,3S)-6-(ethylamino)-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
CID 57675291
(2R)-N-[(2S)-1-[[(E,3S)-6-(hexylamino)-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
CID 57675328
(2R)-N-[(2S)-1-[[(E,3S)-6-(dimethylamino)-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
CID 57675354

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-1-methylpiperazin-2-one?
The IUPAC name of 3-butyl-4-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-1-methylpiperazin-2-one (CID 70778478) is 3-butyl-4-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 3-butyl-4-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-1-methylpiperazin-2-one?
The canonical SMILES for 3-butyl-4-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-1-methylpiperazin-2-one is CCCCC1C(=O)N(C)CCN1Cc1[nH]cc(C)c(=O)c1C.
What is the InChIKey of 3-butyl-4-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-1-methylpiperazin-2-one?
The InChIKey is ACAWEVGWFLCUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-5-6-7-15-17(22)19(4)8-9-20(15)11-14-13(3)16(21)12(2)10-18-14/h10,15H,5-9,11H2,1-4H3,(H,18,21).
What are the key properties of 3-butyl-4-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-1-methylpiperazin-2-one?
3-butyl-4-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-1-methylpiperazin-2-one has a molecular weight of 305.42 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 70778478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).