[2-(1-methyl-6-phenacylpiperidin-2-yl)-1-phenylethyl] acetate

C24H29NO3 — CID 74412786

IUPAC[2-(1-methyl-6-phenacylpiperidin-2-yl)-1-phenylethyl] acetate
SMILESCC(=O)OC(CC1CCCC(CC(=O)c2ccccc2)N1C)c1ccccc1
InChIInChI=1S/C24H29NO3/c1-18(26)28-24(20-12-7-4-8-13-20)17-22-15-9-14-21(25(22)2)16-23(27)19-10-5-3-6-11-19/h3-8,10-13,21-22,24H,9,14-17H2,1-2H3
InChIKeyGJWRCTSARJBEEU-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.81
Rot. Bonds7

About [2-(1-methyl-6-phenacylpiperidin-2-yl)-1-phenylethyl] acetate

[2-(1-methyl-6-phenacylpiperidin-2-yl)-1-phenylethyl] acetate (PubChem CID 74412786) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is [2-(1-methyl-6-phenacylpiperidin-2-yl)-1-phenylethyl] acetate.

Molecular Properties

Compound Name[2-(1-methyl-6-phenacylpiperidin-2-yl)-1-phenylethyl] acetate
PubChem CID74412786
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Name[2-(1-methyl-6-phenacylpiperidin-2-yl)-1-phenylethyl] acetate
SMILESCC(=O)OC(CC1CCCC(CC(=O)c2ccccc2)N1C)c1ccccc1
InChIInChI=1S/C24H29NO3/c1-18(26)28-24(20-12-7-4-8-13-20)17-22-15-9-14-21(25(22)2)16-23(27)19-10-5-3-6-11-19/h3-8,10-13,21-22,24H,9,14-17H2,1-2H3
InChIKeyGJWRCTSARJBEEU-UHFFFAOYSA-N
XLogP4.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-2-[(2S,6R)-1-methyl-6-phenacylpiperidin-2-yl]-1-phenylethyl] benzoate;hydrochloride
CID 46230942
[2-(1-methyl-6-phenacylpiperidin-2-yl)-1-phenylethyl] thiophene-2-carboxylate
CID 75180091
2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethanone chloride
CID 71296873
2-[6-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1-methylpiperidin-2-yl]-1-phenylethanone
CID 162817774
2,4-bis(4-chlorophenyl)-1,5-bis(1-methyl-6-phenacylpiperidin-2-yl)pentan-3-one
CID 174409321
2-[6-[2-(2,3-dihydroxyphenyl)-2-hydroxyethyl]-1-methylpiperidin-2-yl]-1-phenylethanone
CID 162817773
2-[(6R)-1-methyl-6-[(E)-2-phenylethenyl]piperidin-2-yl]-1-phenylethanone
CID 11393016
1-(4-bromophenyl)-2-[6-[2-(4-bromophenyl)-2-oxoethyl]-1-methylpiperidin-2-yl]ethanone
CID 22719915
1-(4-methoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylpiperidin-2-yl]ethanone;hydrochloride
CID 45048917
[(1S)-1-(3-methoxyphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethyl] acetate
CID 90475439
[2-[acetyl(cyclohexyl)amino]-1-phenylethyl] acetate
CID 4079034
[(2R,6R)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-phenylmethanone
CID 11899996

Frequently Asked Questions

What is the IUPAC name of [2-(1-methyl-6-phenacylpiperidin-2-yl)-1-phenylethyl] acetate?
The IUPAC name of [2-(1-methyl-6-phenacylpiperidin-2-yl)-1-phenylethyl] acetate (CID 74412786) is [2-(1-methyl-6-phenacylpiperidin-2-yl)-1-phenylethyl] acetate.
What is the SMILES notation for [2-(1-methyl-6-phenacylpiperidin-2-yl)-1-phenylethyl] acetate?
The canonical SMILES for [2-(1-methyl-6-phenacylpiperidin-2-yl)-1-phenylethyl] acetate is CC(=O)OC(CC1CCCC(CC(=O)c2ccccc2)N1C)c1ccccc1.
What is the InChIKey of [2-(1-methyl-6-phenacylpiperidin-2-yl)-1-phenylethyl] acetate?
The InChIKey is GJWRCTSARJBEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3/c1-18(26)28-24(20-12-7-4-8-13-20)17-22-15-9-14-21(25(22)2)16-23(27)19-10-5-3-6-11-19/h3-8,10-13,21-22,24H,9,14-17H2,1-2H3.
What are the key properties of [2-(1-methyl-6-phenacylpiperidin-2-yl)-1-phenylethyl] acetate?
[2-(1-methyl-6-phenacylpiperidin-2-yl)-1-phenylethyl] acetate has a molecular weight of 379.50 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methyl-6-phenacylpiperidin-2-yl)-1-phenylethyl] acetate is sourced from PubChem (CID 74412786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).