2-(4-methylpiperidin-1-yl)-1-(3-methyl-4-propoxyphenyl)ethanone

C18H27NO2 — CID 82051417

IUPAC2-(4-methylpiperidin-1-yl)-1-(3-methyl-4-propoxyphenyl)ethanone
SMILESCCCOc1ccc(C(=O)CN2CCC(C)CC2)cc1C
InChIInChI=1S/C18H27NO2/c1-4-11-21-18-6-5-16(12-15(18)3)17(20)13-19-9-7-14(2)8-10-19/h5-6,12,14H,4,7-11,13H2,1-3H3
InChIKeyYOWVAXBPLMTTPT-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.70
Rot. Bonds6

About 2-(4-methylpiperidin-1-yl)-1-(3-methyl-4-propoxyphenyl)ethanone

2-(4-methylpiperidin-1-yl)-1-(3-methyl-4-propoxyphenyl)ethanone (PubChem CID 82051417) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-1-(3-methyl-4-propoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-1-(3-methyl-4-propoxyphenyl)ethanone
PubChem CID82051417
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-(4-methylpiperidin-1-yl)-1-(3-methyl-4-propoxyphenyl)ethanone
SMILESCCCOc1ccc(C(=O)CN2CCC(C)CC2)cc1C
InChIInChI=1S/C18H27NO2/c1-4-11-21-18-6-5-16(12-15(18)3)17(20)13-19-9-7-14(2)8-10-19/h5-6,12,14H,4,7-11,13H2,1-3H3
InChIKeyYOWVAXBPLMTTPT-UHFFFAOYSA-N
XLogP3.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-propoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one
CID 82052898
2-methoxy-5-[2-(4-methylpiperidin-1-yl)acetyl]benzoic acid
CID 82052341
1-(3-chloro-4-propoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 82052906
2-piperazin-1-yl-1-(3-propan-2-yl-4-propoxyphenyl)ethanone
CID 82264037
2-(4-ethylpiperazin-1-yl)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanone
CID 93192549
1-(2,5-dimethyl-4-propoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93193553
methyl 4-[2-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-oxoethyl]piperazine-1-carboxylate
CID 77446955
1-(3,4-diethoxyphenyl)-2-piperidin-1-ylethanone
CID 82050354
1-[4-(4-bromo-2-methylphenoxy)butyl]-4-methylpiperidine
CID 2299722
1-[3-methyl-4-(2-methylpropoxy)phenyl]-2-morpholin-4-ylethanone
CID 82051495
1-(4-ethoxy-3-ethylphenyl)-2-pyrrolidin-1-ylethanone
CID 82054227
1-(3-ethyl-4-propoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 82054261

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-1-(3-methyl-4-propoxyphenyl)ethanone?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-1-(3-methyl-4-propoxyphenyl)ethanone (CID 82051417) is 2-(4-methylpiperidin-1-yl)-1-(3-methyl-4-propoxyphenyl)ethanone.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-1-(3-methyl-4-propoxyphenyl)ethanone?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-1-(3-methyl-4-propoxyphenyl)ethanone is CCCOc1ccc(C(=O)CN2CCC(C)CC2)cc1C.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-1-(3-methyl-4-propoxyphenyl)ethanone?
The InChIKey is YOWVAXBPLMTTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-4-11-21-18-6-5-16(12-15(18)3)17(20)13-19-9-7-14(2)8-10-19/h5-6,12,14H,4,7-11,13H2,1-3H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)-1-(3-methyl-4-propoxyphenyl)ethanone?
2-(4-methylpiperidin-1-yl)-1-(3-methyl-4-propoxyphenyl)ethanone has a molecular weight of 289.42 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-1-(3-methyl-4-propoxyphenyl)ethanone is sourced from PubChem (CID 82051417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).