2-(5-acetyl-2-methoxyphenyl)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone

C20H29NO4 — CID 87030730

IUPAC2-(5-acetyl-2-methoxyphenyl)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone
SMILESCOc1ccc(C(C)=O)cc1CC(=O)N1CCC(OCC(C)C)CC1
InChIInChI=1S/C20H29NO4/c1-14(2)13-25-18-7-9-21(10-8-18)20(23)12-17-11-16(15(3)22)5-6-19(17)24-4/h5-6,11,14,18H,7-10,12-13H2,1-4H3
InChIKeyFUFYCAHHSDRRQD-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.10
Rot. Bonds7

About 2-(5-acetyl-2-methoxyphenyl)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone

2-(5-acetyl-2-methoxyphenyl)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone (PubChem CID 87030730) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-(5-acetyl-2-methoxyphenyl)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-acetyl-2-methoxyphenyl)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone
PubChem CID87030730
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC Name2-(5-acetyl-2-methoxyphenyl)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone
SMILESCOc1ccc(C(C)=O)cc1CC(=O)N1CCC(OCC(C)C)CC1
InChIInChI=1S/C20H29NO4/c1-14(2)13-25-18-7-9-21(10-8-18)20(23)12-17-11-16(15(3)22)5-6-19(17)24-4/h5-6,11,14,18H,7-10,12-13H2,1-4H3
InChIKeyFUFYCAHHSDRRQD-UHFFFAOYSA-N
XLogP3.10
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-acetyl-2-methoxyphenyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone
CID 71936525
2-(5-acetyl-2-methoxyphenyl)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone
CID 120817845
2-(5-acetyl-2-methoxyphenyl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 18152993
2-(5-acetyl-2-methoxyphenyl)-1-(3-aminopiperidin-1-yl)ethanone
CID 119377136
1-[2-(5-acetyl-2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 119176135
2-(5-acetyl-2-methoxyphenyl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone
CID 71911930
1-[4-methoxy-3-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]ethanone
CID 103714072
2-(5-acetyl-2-methoxyphenyl)-1-(2-methylpiperazin-1-yl)ethanone
CID 119469990
2-(5-acetyl-2-methoxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone
CID 42932877
2-(5-acetyl-2-methoxyphenyl)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 120824262
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(5-chloro-2-methoxyphenyl)ethanone;hydrochloride
CID 119661557
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone?
The IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone (CID 87030730) is 2-(5-acetyl-2-methoxyphenyl)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(5-acetyl-2-methoxyphenyl)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(5-acetyl-2-methoxyphenyl)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone is COc1ccc(C(C)=O)cc1CC(=O)N1CCC(OCC(C)C)CC1.
What is the InChIKey of 2-(5-acetyl-2-methoxyphenyl)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone?
The InChIKey is FUFYCAHHSDRRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-14(2)13-25-18-7-9-21(10-8-18)20(23)12-17-11-16(15(3)22)5-6-19(17)24-4/h5-6,11,14,18H,7-10,12-13H2,1-4H3.
What are the key properties of 2-(5-acetyl-2-methoxyphenyl)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone?
2-(5-acetyl-2-methoxyphenyl)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone has a molecular weight of 347.46 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-methoxyphenyl)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 87030730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).