2-methyl-6-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyran-4-one

C18H20N2O4 — CID 99929823

IUPAC2-methyl-6-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyran-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCC[C@H](OCc3ccccn3)C2)o1
InChIInChI=1S/C18H20N2O4/c1-13-9-15(21)10-17(24-13)18(22)20-8-4-6-16(11-20)23-12-14-5-2-3-7-19-14/h2-3,5,7,9-10,16H,4,6,8,11-12H2,1H3/t16-/m0/s1
InChIKeyBBNJIRWZFSWMEC-INIZCTEOSA-N
MW328.37 g/mol
LogP2.16
Rot. Bonds4

About 2-methyl-6-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyran-4-one

2-methyl-6-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyran-4-one (PubChem CID 99929823) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-methyl-6-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyran-4-one.

Molecular Properties

Compound Name2-methyl-6-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyran-4-one
PubChem CID99929823
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-methyl-6-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyran-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCC[C@H](OCc3ccccn3)C2)o1
InChIInChI=1S/C18H20N2O4/c1-13-9-15(21)10-17(24-13)18(22)20-8-4-6-16(11-20)23-12-14-5-2-3-7-19-14/h2-3,5,7,9-10,16H,4,6,8,11-12H2,1H3/t16-/m0/s1
InChIKeyBBNJIRWZFSWMEC-INIZCTEOSA-N
XLogP2.16
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methyl-1-benzofuran-5-yl)-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 72939536
[5-(methoxymethyl)furan-2-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 70711514
1-[2-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]ethanone
CID 91766002
(2-methylsulfanyl-3-pyridinyl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 96576382
(3-ethoxypiperidin-1-yl)-[4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 71998730
2-(5-methylpyrazol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 97134776
(3R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
CID 126453895
(6-methylimidazo[1,2-a]pyridin-2-yl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 97142061
(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 99935038
(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 99935036
[3-(pyridin-2-ylmethoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 91770782
(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 97155827

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyran-4-one?
The IUPAC name of 2-methyl-6-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyran-4-one (CID 99929823) is 2-methyl-6-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyran-4-one.
What is the SMILES notation for 2-methyl-6-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyran-4-one?
The canonical SMILES for 2-methyl-6-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyran-4-one is Cc1cc(=O)cc(C(=O)N2CCC[C@H](OCc3ccccn3)C2)o1.
What is the InChIKey of 2-methyl-6-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyran-4-one?
The InChIKey is BBNJIRWZFSWMEC-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-13-9-15(21)10-17(24-13)18(22)20-8-4-6-16(11-20)23-12-14-5-2-3-7-19-14/h2-3,5,7,9-10,16H,4,6,8,11-12H2,1H3/t16-/m0/s1.
What are the key properties of 2-methyl-6-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyran-4-one?
2-methyl-6-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyran-4-one has a molecular weight of 328.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyran-4-one is sourced from PubChem (CID 99929823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).