2-methyl-6-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyran-4-one

C17H24N2O4 — CID 91781470

IUPAC2-methyl-6-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyran-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCCCC2CN2CCOCC2)o1
InChIInChI=1S/C17H24N2O4/c1-13-10-15(20)11-16(23-13)17(21)19-5-3-2-4-14(19)12-18-6-8-22-9-7-18/h10-11,14H,2-9,12H2,1H3
InChIKeyUSFUDSSRXYAOHL-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.28
Rot. Bonds3

About 2-methyl-6-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyran-4-one

2-methyl-6-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyran-4-one (PubChem CID 91781470) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-methyl-6-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyran-4-one.

Molecular Properties

Compound Name2-methyl-6-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyran-4-one
PubChem CID91781470
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name2-methyl-6-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyran-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCCCC2CN2CCOCC2)o1
InChIInChI=1S/C17H24N2O4/c1-13-10-15(20)11-16(23-13)17(21)19-5-3-2-4-14(19)12-18-6-8-22-9-7-18/h10-11,14H,2-9,12H2,1H3
InChIKeyUSFUDSSRXYAOHL-UHFFFAOYSA-N
XLogP1.28
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(4-Fluoropiperidin-1-yl)methyl]-2,3-dihydrofuran-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 70332639
5-Hydroxy-2-[[2-(morpholine-4-carbonyl)piperidin-1-yl]methyl]pyran-4-one
CID 60332335
5-methoxy-2-({4-[1-(4-morpholinyl)ethyl]-1-piperidinyl}carbonyl)-4H-pyran-4-one
CID 70734001
5-methoxy-2-{[2-(4-morpholinylmethyl)-1-piperidinyl]methyl}-4H-pyran-4-one
CID 70735930
3-butyl-4-[(5-methoxy-4-oxo-4H-pyran-2-yl)methyl]-1-methyl-2-piperazinone
CID 70775372
5-methoxy-1-(2-morpholino-2-oxoethyl)-2-(piperidin-1-ylmethyl)pyridin-4(1H)-one
CID 71704437
5-methoxy-2-({4-[1-(4-methyl-1-piperazinyl)ethyl]-1-piperidinyl}carbonyl)-4H-pyran-4-one
CID 72907487
2-methyl-6-[(3-piperidin-1-ylpyrrolidin-1-yl)carbonyl]-4H-pyran-4-one
CID 77088391
N,6-dimethyl-N-(4-morpholin-4-ylbutyl)-4-oxo-4H-pyran-2-carboxamide
CID 77089144
2-({4-[[2-(dimethylamino)ethyl](methyl)amino]piperidin-1-yl}carbonyl)-6-methyl-4H-pyran-4-one
CID 86286386
3-butyl-1-methyl-4-[(6-methyl-4-oxo-4H-pyran-2-yl)carbonyl]piperazin-2-one
CID 90647875
5-methoxy-2-[4-[(1S)-1-morpholin-4-ylethyl]piperidine-1-carbonyl]pyran-4-one
CID 96383353

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyran-4-one?
The IUPAC name of 2-methyl-6-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyran-4-one (CID 91781470) is 2-methyl-6-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyran-4-one.
What is the SMILES notation for 2-methyl-6-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyran-4-one?
The canonical SMILES for 2-methyl-6-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyran-4-one is Cc1cc(=O)cc(C(=O)N2CCCCC2CN2CCOCC2)o1.
What is the InChIKey of 2-methyl-6-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyran-4-one?
The InChIKey is USFUDSSRXYAOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-13-10-15(20)11-16(23-13)17(21)19-5-3-2-4-14(19)12-18-6-8-22-9-7-18/h10-11,14H,2-9,12H2,1H3.
What are the key properties of 2-methyl-6-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyran-4-one?
2-methyl-6-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyran-4-one has a molecular weight of 320.39 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyran-4-one is sourced from PubChem (CID 91781470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).