2-[(3S)-3-[(3-methoxyphenoxy)methyl]piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one

C21H26N2O4 — CID 126433367

IUPAC2-[(3S)-3-[(3-methoxyphenoxy)methyl]piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one
SMILESCOc1cccc(OC[C@H]2CCCN(C(=O)c3cc(=O)cc(C)n3C)C2)c1
InChIInChI=1S/C21H26N2O4/c1-15-10-17(24)11-20(22(15)2)21(25)23-9-5-6-16(13-23)14-27-19-8-4-7-18(12-19)26-3/h4,7-8,10-12,16H,5-6,9,13-14H2,1-3H3/t16-/m0/s1
InChIKeyQULAUAXNCIIXKW-INIZCTEOSA-N
MW370.45 g/mol
LogP2.63
Rot. Bonds5

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

2-[(3S)-3-[(3-methoxyphenoxy)methyl]piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one (PubChem CID 126433367) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[(3S)-3-[(3-methoxyphenoxy)methyl]piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name2-[(3S)-3-[(3-methoxyphenoxy)methyl]piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one
PubChem CID126433367
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-[(3S)-3-[(3-methoxyphenoxy)methyl]piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one
SMILESCOc1cccc(OC[C@H]2CCCN(C(=O)c3cc(=O)cc(C)n3C)C2)c1
InChIInChI=1S/C21H26N2O4/c1-15-10-17(24)11-20(22(15)2)21(25)23-9-5-6-16(13-23)14-27-19-8-4-7-18(12-19)26-3/h4,7-8,10-12,16H,5-6,9,13-14H2,1-3H3/t16-/m0/s1
InChIKeyQULAUAXNCIIXKW-INIZCTEOSA-N
XLogP2.63
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(3S)-3-[(3-methoxyphenoxy)methyl]piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one with MolForge

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Related Compounds

[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 70741775
imidazo[1,2-a]pyridin-3-yl-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methanone
CID 70748196
[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 56879058
2-[3-[(4-methoxyphenoxy)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one
CID 118787801
(3R)-N-[2-(dimethylamino)-2-methylpropyl]-3-[(3-methoxyphenoxy)methyl]piperidine-1-carboxamide
CID 125444364
[(3S)-3-(methoxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 42120570
2-(3-hydroxyphenyl)-1-[(3S)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]ethanone
CID 95894928
[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 94979993
[3-[[1-(2-methylbenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 50847103
1-[(3S)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one
CID 96573973
ethyl 3-[(3-methylphenoxy)methyl]piperidine-1-carboxylate
CID 110638519
(2,6-dimethoxyphenyl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 110638674

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[(3-methoxyphenoxy)methyl]piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one?
The IUPAC name of 2-[(3S)-3-[(3-methoxyphenoxy)methyl]piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one (CID 126433367) is 2-[(3S)-3-[(3-methoxyphenoxy)methyl]piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one.
What is the SMILES notation for 2-[(3S)-3-[(3-methoxyphenoxy)methyl]piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one?
The canonical SMILES for 2-[(3S)-3-[(3-methoxyphenoxy)methyl]piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one is COc1cccc(OC[C@H]2CCCN(C(=O)c3cc(=O)cc(C)n3C)C2)c1.
What is the InChIKey of 2-[(3S)-3-[(3-methoxyphenoxy)methyl]piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one?
The InChIKey is QULAUAXNCIIXKW-INIZCTEOSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-15-10-17(24)11-20(22(15)2)21(25)23-9-5-6-16(13-23)14-27-19-8-4-7-18(12-19)26-3/h4,7-8,10-12,16H,5-6,9,13-14H2,1-3H3/t16-/m0/s1.
What are the key properties of 2-[(3S)-3-[(3-methoxyphenoxy)methyl]piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one?
2-[(3S)-3-[(3-methoxyphenoxy)methyl]piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one has a molecular weight of 370.45 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[(3-methoxyphenoxy)methyl]piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one is sourced from PubChem (CID 126433367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).