[3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone

C19H22N2O3 — CID 132764030

IUPAC[3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESCOC1(COc2ccccc2C)CCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C19H22N2O3/c1-15-5-3-4-6-17(15)24-14-19(23-2)9-12-21(13-19)18(22)16-7-10-20-11-8-16/h3-8,10-11H,9,12-14H2,1-2H3
InChIKeyDEFGFJRINBZCEJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.70
Rot. Bonds5

About [3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone

[3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 132764030) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is [3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
PubChem CID132764030
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name[3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESCOC1(COc2ccccc2C)CCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C19H22N2O3/c1-15-5-3-4-6-17(15)24-14-19(23-2)9-12-21(13-19)18(22)16-7-10-20-11-8-16/h3-8,10-11H,9,12-14H2,1-2H3
InChIKeyDEFGFJRINBZCEJ-UHFFFAOYSA-N
XLogP2.70
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-methoxy-3-[(2-methylphenoxy)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 132765084
4-(2-methylphenoxy)-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 56901351
2-(2-methylphenoxy)-1-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110798910
(4-fluorophenyl)-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]methanone
CID 155990838
[3-methoxy-3-(phenoxymethyl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 132776385
4-(2-methylphenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 108553773
4-[[3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 155992598
[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 155992013
[3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 132764523
1-[2-[2,5-dimethyl-1-(pyridin-4-ylmethyl)pyrrole-3-carbonyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-(2-methylphenoxy)ethanone
CID 3859343
[3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(5-methyl-2-pyridinyl)methanone
CID 132764637
[3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 132776924

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone (CID 132764030) is [3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone is COC1(COc2ccccc2C)CCN(C(=O)c2ccncc2)C1.
What is the InChIKey of [3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is DEFGFJRINBZCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-15-5-3-4-6-17(15)24-14-19(23-2)9-12-21(13-19)18(22)16-7-10-20-11-8-16/h3-8,10-11H,9,12-14H2,1-2H3.
What are the key properties of [3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
[3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 326.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 132764030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).