(5-ethyl-2-methoxyphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone

C16H23NO2 — CID 95732304

IUPAC(5-ethyl-2-methoxyphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
SMILESCCc1ccc(OC)c(C(=O)N2CCCC[C@@H]2C)c1
InChIInChI=1S/C16H23NO2/c1-4-13-8-9-15(19-3)14(11-13)16(18)17-10-6-5-7-12(17)2/h8-9,11-12H,4-7,10H2,1-3H3/t12-/m0/s1
InChIKeyGPOHCBHHTHLMPV-LBPRGKRZSA-N
MW261.37 g/mol
LogP3.27
Rot. Bonds3

About (5-ethyl-2-methoxyphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone

(5-ethyl-2-methoxyphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone (PubChem CID 95732304) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (5-ethyl-2-methoxyphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-2-methoxyphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
PubChem CID95732304
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(5-ethyl-2-methoxyphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
SMILESCCc1ccc(OC)c(C(=O)N2CCCC[C@@H]2C)c1
InChIInChI=1S/C16H23NO2/c1-4-13-8-9-15(19-3)14(11-13)16(18)17-10-6-5-7-12(17)2/h8-9,11-12H,4-7,10H2,1-3H3/t12-/m0/s1
InChIKeyGPOHCBHHTHLMPV-LBPRGKRZSA-N
XLogP3.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl-[4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]methanone
CID 110801618
(4-bromo-2-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 78987496
2-(3,4-dimethoxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 4167532
ethyl 1-(5-ethyl-2-methoxybenzoyl)piperidine-4-carboxylate
CID 110761989
(3-hydroxy-4-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 79672444
5-ethyl-2-methoxybenzoic acid
CID 20721149
[2-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone
CID 43421310
3-(3-amino-4-methoxyphenyl)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 82071342
[2-(bromomethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone
CID 80659468
[2-(chloromethyl)azepan-1-yl]-(2-methoxy-5-methylphenyl)methanone
CID 116639025
(2,6-dimethoxyphenyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 142809150
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 16523934

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-2-methoxyphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone?
The IUPAC name of (5-ethyl-2-methoxyphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone (CID 95732304) is (5-ethyl-2-methoxyphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (5-ethyl-2-methoxyphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for (5-ethyl-2-methoxyphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone is CCc1ccc(OC)c(C(=O)N2CCCC[C@@H]2C)c1.
What is the InChIKey of (5-ethyl-2-methoxyphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone?
The InChIKey is GPOHCBHHTHLMPV-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-13-8-9-15(19-3)14(11-13)16(18)17-10-6-5-7-12(17)2/h8-9,11-12H,4-7,10H2,1-3H3/t12-/m0/s1.
What are the key properties of (5-ethyl-2-methoxyphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone?
(5-ethyl-2-methoxyphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone has a molecular weight of 261.37 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2-methoxyphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 95732304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).