1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one

C20H25NO2S — CID 110356445

IUPAC1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
SMILESCOC(c1ccccc1)C1CCN(C(=O)CCc2cccs2)CC1
InChIInChI=1S/C20H25NO2S/c1-23-20(16-6-3-2-4-7-16)17-11-13-21(14-12-17)19(22)10-9-18-8-5-15-24-18/h2-8,15,17,20H,9-14H2,1H3
InChIKeyBWDJGCSJZSDRDB-UHFFFAOYSA-N
MW343.49 g/mol
LogP4.31
Rot. Bonds6

About 1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one

1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one (PubChem CID 110356445) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is 1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
PubChem CID110356445
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC Name1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
SMILESCOC(c1ccccc1)C1CCN(C(=O)CCc2cccs2)CC1
InChIInChI=1S/C20H25NO2S/c1-23-20(16-6-3-2-4-7-16)17-11-13-21(14-12-17)19(22)10-9-18-8-5-15-24-18/h2-8,15,17,20H,9-14H2,1H3
InChIKeyBWDJGCSJZSDRDB-UHFFFAOYSA-N
XLogP4.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]butan-1-one
CID 110357762
1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 43416005
1-(2-chlorophenyl)-4-[4-[methoxy(phenyl)methyl]piperidin-1-yl]butane-1,4-dione
CID 110607769
methyl 4-[methoxy(phenyl)methyl]piperidine-1-carboxylate
CID 110357816
1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 110357763
1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110357769
1-(4-pyrrol-1-ylpiperidin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 110721301
1-[(4S)-4-(dimethylamino)azepan-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95726421
1-[(3R)-3-aminopyrrolidin-1-yl]-3-thiophen-2-ylpropan-1-one;hydrochloride
CID 119410848
1-[4-[1-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-2-phenylethyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 45191528
benzyl 4-(3-thiophen-2-ylpropanoyl)piperazine-1-carboxylate
CID 110818649
1-cyclopentyl-3-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]urea
CID 110822094

Frequently Asked Questions

What is the IUPAC name of 1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one (CID 110356445) is 1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one is COC(c1ccccc1)C1CCN(C(=O)CCc2cccs2)CC1.
What is the InChIKey of 1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
The InChIKey is BWDJGCSJZSDRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2S/c1-23-20(16-6-3-2-4-7-16)17-11-13-21(14-12-17)19(22)10-9-18-8-5-15-24-18/h2-8,15,17,20H,9-14H2,1H3.
What are the key properties of 1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one has a molecular weight of 343.49 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 110356445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).