2-[3-[(4-methoxyphenoxy)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one

C20H23NO5 — CID 118787801

IUPAC2-[3-[(4-methoxyphenoxy)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one
SMILESCOc1ccc(OCC2CCCN(C(=O)c3cc(=O)cc(C)o3)C2)cc1
InChIInChI=1S/C20H23NO5/c1-14-10-16(22)11-19(26-14)20(23)21-9-3-4-15(12-21)13-25-18-7-5-17(24-2)6-8-18/h5-8,10-11,15H,3-4,9,12-13H2,1-2H3
InChIKeyDKOVHYBTXAQYOE-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.89
Rot. Bonds5

About 2-[3-[(4-methoxyphenoxy)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one

2-[3-[(4-methoxyphenoxy)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one (PubChem CID 118787801) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[3-[(4-methoxyphenoxy)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one.

Molecular Properties

Compound Name2-[3-[(4-methoxyphenoxy)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one
PubChem CID118787801
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name2-[3-[(4-methoxyphenoxy)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one
SMILESCOc1ccc(OCC2CCCN(C(=O)c3cc(=O)cc(C)o3)C2)cc1
InChIInChI=1S/C20H23NO5/c1-14-10-16(22)11-19(26-14)20(23)21-9-3-4-15(12-21)13-25-18-7-5-17(24-2)6-8-18/h5-8,10-11,15H,3-4,9,12-13H2,1-2H3
InChIKeyDKOVHYBTXAQYOE-UHFFFAOYSA-N
XLogP2.89
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 70749855
2-methyl-6-[(3S)-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]pyran-4-one
CID 97276911
2-methyl-6-[(3S)-3-(3-methylphenyl)piperidine-1-carbonyl]pyran-4-one
CID 99994685
3-methoxy-1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]propan-1-one
CID 70716586
(2-methoxy-4-methyl-1,3-thiazol-5-yl)-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 70777552
2-[(3S)-3-[(3-methoxyphenoxy)methyl]piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one
CID 126433367
(2,6-dimethoxyphenyl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 110638674
(1-cyclohexyltriazol-4-yl)-[(3R)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone
CID 42190508
2-methyl-6-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyran-4-one
CID 99929823
furan-2-yl-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110410357
[4-[[(3R)-1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 95097592
[4-[[1-(3,5-dimethylbenzoyl)piperidin-3-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 53150155

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methoxyphenoxy)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one?
The IUPAC name of 2-[3-[(4-methoxyphenoxy)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one (CID 118787801) is 2-[3-[(4-methoxyphenoxy)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one.
What is the SMILES notation for 2-[3-[(4-methoxyphenoxy)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one?
The canonical SMILES for 2-[3-[(4-methoxyphenoxy)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one is COc1ccc(OCC2CCCN(C(=O)c3cc(=O)cc(C)o3)C2)cc1.
What is the InChIKey of 2-[3-[(4-methoxyphenoxy)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one?
The InChIKey is DKOVHYBTXAQYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-14-10-16(22)11-19(26-14)20(23)21-9-3-4-15(12-21)13-25-18-7-5-17(24-2)6-8-18/h5-8,10-11,15H,3-4,9,12-13H2,1-2H3.
What are the key properties of 2-[3-[(4-methoxyphenoxy)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one?
2-[3-[(4-methoxyphenoxy)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one has a molecular weight of 357.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methoxyphenoxy)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one is sourced from PubChem (CID 118787801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).