2-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one

C17H25N3O2 — CID 91835177

IUPAC2-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
SMILESCc1c[nH]c(CN2CCN(C(=O)C3CCC3)CC2)c(C)c1=O
InChIInChI=1S/C17H25N3O2/c1-12-10-18-15(13(2)16(12)21)11-19-6-8-20(9-7-19)17(22)14-4-3-5-14/h10,14H,3-9,11H2,1-2H3,(H,18,21)
InChIKeyCUXJYOJMOFNIAL-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.44
Rot. Bonds3

About 2-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one

2-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one (PubChem CID 91835177) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
PubChem CID91835177
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
SMILESCc1c[nH]c(CN2CCN(C(=O)C3CCC3)CC2)c(C)c1=O
InChIInChI=1S/C17H25N3O2/c1-12-10-18-15(13(2)16(12)21)11-19-6-8-20(9-7-19)17(22)14-4-3-5-14/h10,14H,3-9,11H2,1-2H3,(H,18,21)
InChIKeyCUXJYOJMOFNIAL-UHFFFAOYSA-N
XLogP1.44
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-methyl-5-(4-methyl-2-propan-2-ylpiperazine-1-carbonyl)-1H-pyridin-4-one
CID 91643778
2-methyl-5-[4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-4-one
CID 99811768
2-[[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl-methylamino]methyl]-3,5-dimethyl-1H-pyridin-4-one
CID 129613090
2-methyl-5-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-4-one
CID 164632208
1-{1-[(4-Hydroxy-3,5-dimethyl-2-pyridinyl)methyl]-3-piperidinyl}-2-pyrrolidinone
CID 56868714
3,9-dimethyl-2-(3-methylcyclobutyl)-1,8-dioxo-N-propyl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 146357796
6-methyl-N-[2-[1-(2-methylpropyl)piperidin-3-yl]ethyl]-4-oxo-1H-pyridine-3-carboxamide
CID 56721126
2-Ethyl-9-[(4-hydroxy-3,5-dimethyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70739020
3-Butyl-4-[(4-hydroxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-2-piperazinone
CID 70778478
1-(cyclohexylmethyl)-N-[(4-hydroxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxo-3-piperidinecarboxamide
CID 72883475
(2S,4S)-4-[(cyclobutylcarbonyl)amino]-N-ethyl-1-[(4-hydroxy-3,5-dimethyl-2-pyridinyl)methyl]-2-pyrrolidinecarboxamide
CID 72908048
N-[(4-hydroxy-3,5-dimethylpyridin-2-yl)methyl]-3-piperidin-1-ylpropanamide
CID 91796818

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one?
The IUPAC name of 2-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one (CID 91835177) is 2-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 2-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 2-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one is Cc1c[nH]c(CN2CCN(C(=O)C3CCC3)CC2)c(C)c1=O.
What is the InChIKey of 2-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one?
The InChIKey is CUXJYOJMOFNIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12-10-18-15(13(2)16(12)21)11-19-6-8-20(9-7-19)17(22)14-4-3-5-14/h10,14H,3-9,11H2,1-2H3,(H,18,21).
What are the key properties of 2-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one?
2-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one has a molecular weight of 303.41 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 91835177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).