2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-6-methyl-1H-pyridin-4-one

C16H22N2O2 — CID 92601875

IUPAC2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-6-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)cc(C2CCN(C(=O)C3CCC3)CC2)[nH]1
InChIInChI=1S/C16H22N2O2/c1-11-9-14(19)10-15(17-11)12-5-7-18(8-6-12)16(20)13-3-2-4-13/h9-10,12-13H,2-8H2,1H3,(H,17,19)
InChIKeyBTINITCZVNERDF-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.19
Rot. Bonds2

About 2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-6-methyl-1H-pyridin-4-one

2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-6-methyl-1H-pyridin-4-one (PubChem CID 92601875) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-6-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-6-methyl-1H-pyridin-4-one
PubChem CID92601875
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-6-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)cc(C2CCN(C(=O)C3CCC3)CC2)[nH]1
InChIInChI=1S/C16H22N2O2/c1-11-9-14(19)10-15(17-11)12-5-7-18(8-6-12)16(20)13-3-2-4-13/h9-10,12-13H,2-8H2,1H3,(H,17,19)
InChIKeyBTINITCZVNERDF-UHFFFAOYSA-N
XLogP2.19
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-4-(methylamino)-N-[(1-methylpiperidin-4-yl)methyl]-6,7-dioxooct-4-enamide
CID 145578454
6-methyl-N-[2-[1-(2-methylpropyl)piperidin-3-yl]ethyl]-4-oxo-1H-pyridine-3-carboxamide
CID 56721126
2-(1-acetylpiperidin-4-yl)-6-methyl-1H-pyridin-4-one
CID 73439338
2-{[4-(Cyclobutylcarbonyl)-1-piperazinyl]methyl}-3,5-dimethyl-4-pyridinol
CID 91835177
2-[(3R)-1-(2-cyclopentylacetyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one
CID 92601740
2-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one
CID 92601742
2-[1-(cyclobutanecarbonyl)azetidin-3-yl]-6-methyl-1H-pyridin-4-one
CID 95841662
N-[[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]methyl]acetamide
CID 102736449
1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxamide
CID 103696182
N,N-dimethyl-1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxamide
CID 103696236
2-[1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 103696400
N-ethyl-1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxamide
CID 103696508

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-6-methyl-1H-pyridin-4-one?
The IUPAC name of 2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-6-methyl-1H-pyridin-4-one (CID 92601875) is 2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-6-methyl-1H-pyridin-4-one.
What is the SMILES notation for 2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-6-methyl-1H-pyridin-4-one?
The canonical SMILES for 2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-6-methyl-1H-pyridin-4-one is Cc1cc(=O)cc(C2CCN(C(=O)C3CCC3)CC2)[nH]1.
What is the InChIKey of 2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-6-methyl-1H-pyridin-4-one?
The InChIKey is BTINITCZVNERDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-9-14(19)10-15(17-11)12-5-7-18(8-6-12)16(20)13-3-2-4-13/h9-10,12-13H,2-8H2,1H3,(H,17,19).
What are the key properties of 2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-6-methyl-1H-pyridin-4-one?
2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-6-methyl-1H-pyridin-4-one has a molecular weight of 274.36 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-6-methyl-1H-pyridin-4-one is sourced from PubChem (CID 92601875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).