[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]-(3-methylphenyl)methanone

C21H25NO3 — CID 155992013

IUPAC[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]-(3-methylphenyl)methanone
SMILESCOC1(COc2ccccc2)CCCN(C(=O)c2cccc(C)c2)C1
InChIInChI=1S/C21H25NO3/c1-17-8-6-9-18(14-17)20(23)22-13-7-12-21(15-22,24-2)16-25-19-10-4-3-5-11-19/h3-6,8-11,14H,7,12-13,15-16H2,1-2H3
InChIKeyDLTHRYLXDBHGAT-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.70
Rot. Bonds5

About [3-methoxy-3-(phenoxymethyl)piperidin-1-yl]-(3-methylphenyl)methanone

[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]-(3-methylphenyl)methanone (PubChem CID 155992013) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is [3-methoxy-3-(phenoxymethyl)piperidin-1-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]-(3-methylphenyl)methanone
PubChem CID155992013
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]-(3-methylphenyl)methanone
SMILESCOC1(COc2ccccc2)CCCN(C(=O)c2cccc(C)c2)C1
InChIInChI=1S/C21H25NO3/c1-17-8-6-9-18(14-17)20(23)22-13-7-12-21(15-22,24-2)16-25-19-10-4-3-5-11-19/h3-6,8-11,14H,7,12-13,15-16H2,1-2H3
InChIKeyDLTHRYLXDBHGAT-UHFFFAOYSA-N
XLogP3.70
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]methanone
CID 155990838
[3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 132764523
6-[(3S)-3-methoxy-3-(phenoxymethyl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 124980363
3-[[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 132777552
2-(4-fluorophenyl)-1-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 155990933
[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-(3-methylphenyl)methanone
CID 155991254
[3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylpyrimidin-2-yl)methanone
CID 155992662
N-[2-[3-methoxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 132948466
[3-methoxy-3-(phenoxymethyl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 132776385
2-[(3R)-1-(4-methylbenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide
CID 125024237
1-[3-methoxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone
CID 132764475
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-3-(phenoxymethyl)piperidin-1-yl]-(3-methylphenyl)methanone?
The IUPAC name of [3-methoxy-3-(phenoxymethyl)piperidin-1-yl]-(3-methylphenyl)methanone (CID 155992013) is [3-methoxy-3-(phenoxymethyl)piperidin-1-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [3-methoxy-3-(phenoxymethyl)piperidin-1-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [3-methoxy-3-(phenoxymethyl)piperidin-1-yl]-(3-methylphenyl)methanone is COC1(COc2ccccc2)CCCN(C(=O)c2cccc(C)c2)C1.
What is the InChIKey of [3-methoxy-3-(phenoxymethyl)piperidin-1-yl]-(3-methylphenyl)methanone?
The InChIKey is DLTHRYLXDBHGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-17-8-6-9-18(14-17)20(23)22-13-7-12-21(15-22,24-2)16-25-19-10-4-3-5-11-19/h3-6,8-11,14H,7,12-13,15-16H2,1-2H3.
What are the key properties of [3-methoxy-3-(phenoxymethyl)piperidin-1-yl]-(3-methylphenyl)methanone?
[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]-(3-methylphenyl)methanone has a molecular weight of 339.44 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-3-(phenoxymethyl)piperidin-1-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 155992013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).