(2,6-dimethoxyphenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone

C16H23NO3 — CID 683288

IUPAC(2,6-dimethoxyphenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
SMILESCC[C@H]1CCCCN1C(=O)c1c(OC)cccc1OC
InChIInChI=1S/C16H23NO3/c1-4-12-8-5-6-11-17(12)16(18)15-13(19-2)9-7-10-14(15)20-3/h7,9-10,12H,4-6,8,11H2,1-3H3/t12-/m0/s1
InChIKeyUROYLOASQDRRTD-LBPRGKRZSA-N
MW277.36 g/mol
LogP3.11
Rot. Bonds4

About (2,6-dimethoxyphenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone

(2,6-dimethoxyphenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone (PubChem CID 683288) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
PubChem CID683288
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(2,6-dimethoxyphenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
SMILESCC[C@H]1CCCCN1C(=O)c1c(OC)cccc1OC
InChIInChI=1S/C16H23NO3/c1-4-12-8-5-6-11-17(12)16(18)15-13(19-2)9-7-10-14(15)20-3/h7,9-10,12H,4-6,8,11H2,1-3H3/t12-/m0/s1
InChIKeyUROYLOASQDRRTD-LBPRGKRZSA-N
XLogP3.11
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2,6-dimethoxyphenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone with MolForge

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Related Compounds

2-[1-(2,6-dimethoxybenzoyl)pyrrolidin-2-yl]acetic acid
CID 61371256
(2-amino-6-ethoxyphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 81420836
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097
(4-amino-3-methoxyphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 104782396
(2-ethylpiperidin-1-yl)-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 110391726
(2,6-dimethoxyphenyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 142809150
(2-ethylpiperidin-1-yl)-[2-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]methanone
CID 109257901
3-(2-ethylpiperidine-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 109055463
N-(3,4-dimethoxyphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109056485
[2-(chloromethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 63395526
1-(2-ethylpiperidin-1-yl)-2-[(2-methoxyphenyl)methylamino]ethanone
CID 108998329

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone (CID 683288) is (2,6-dimethoxyphenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone is CC[C@H]1CCCCN1C(=O)c1c(OC)cccc1OC.
What is the InChIKey of (2,6-dimethoxyphenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone?
The InChIKey is UROYLOASQDRRTD-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-12-8-5-6-11-17(12)16(18)15-13(19-2)9-7-10-14(15)20-3/h7,9-10,12H,4-6,8,11H2,1-3H3/t12-/m0/s1.
What are the key properties of (2,6-dimethoxyphenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone?
(2,6-dimethoxyphenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone has a molecular weight of 277.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone is sourced from PubChem (CID 683288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).