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

C20H24N2O3 — CID 132764475

IUPAC1-[3-methoxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone
SMILESCOC1(COc2cccc(C)c2)CCN(C(=O)Cc2ccncc2)C1
InChIInChI=1S/C20H24N2O3/c1-16-4-3-5-18(12-16)25-15-20(24-2)8-11-22(14-20)19(23)13-17-6-9-21-10-7-17/h3-7,9-10,12H,8,11,13-15H2,1-2H3
InChIKeyYHRLSOOTRTZJMU-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.63
Rot. Bonds6

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

1-[3-methoxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone (PubChem CID 132764475) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[3-methoxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-[3-methoxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone
PubChem CID132764475
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-[3-methoxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone
SMILESCOC1(COc2cccc(C)c2)CCN(C(=O)Cc2ccncc2)C1
InChIInChI=1S/C20H24N2O3/c1-16-4-3-5-18(12-16)25-15-20(24-2)8-11-22(14-20)19(23)13-17-6-9-21-10-7-17/h3-7,9-10,12H,8,11,13-15H2,1-2H3
InChIKeyYHRLSOOTRTZJMU-UHFFFAOYSA-N
XLogP2.63
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-methoxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 132948466
1-[3-[(3-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-2-imidazol-1-ylethanone
CID 132776946
2-(4-fluorophenyl)-1-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 155990933
[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 155992013
1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 132764139
2-(4-methoxyphenyl)-1-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 48867699
2-cyclopropyl-1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]ethanone
CID 132775743
[3-methoxy-3-(phenoxymethyl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 132776385
1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 132764596
2-(3-methylphenoxy)-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone
CID 17013748
(3S)-N,N-dimethyl-1-[2-(3-methylphenyl)acetyl]-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92560568
3-ethyl-1-(2-pyridin-4-ylacetyl)pyrrolidine-3-carboxylic acid
CID 63146595

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone?
The IUPAC name of 1-[3-methoxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone (CID 132764475) is 1-[3-methoxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-[3-methoxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone?
The canonical SMILES for 1-[3-methoxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone is COC1(COc2cccc(C)c2)CCN(C(=O)Cc2ccncc2)C1.
What is the InChIKey of 1-[3-methoxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone?
The InChIKey is YHRLSOOTRTZJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-16-4-3-5-18(12-16)25-15-20(24-2)8-11-22(14-20)19(23)13-17-6-9-21-10-7-17/h3-7,9-10,12H,8,11,13-15H2,1-2H3.
What are the key properties of 1-[3-methoxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone?
1-[3-methoxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone has a molecular weight of 340.42 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone is sourced from PubChem (CID 132764475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).