1-[(2S)-2-ethylpiperidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one

C19H29NO4 — CID 94337272

IUPAC1-[(2S)-2-ethylpiperidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
SMILESCC[C@H]1CCCCN1C(=O)CCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H29NO4/c1-5-15-8-6-7-11-20(15)18(21)10-9-14-12-16(22-2)19(24-4)17(13-14)23-3/h12-13,15H,5-11H2,1-4H3/t15-/m0/s1
InChIKeyKOTYJNKMFKYMLE-HNNXBMFYSA-N
MW335.44 g/mol
LogP3.44
Rot. Bonds7

About 1-[(2S)-2-ethylpiperidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one

1-[(2S)-2-ethylpiperidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one (PubChem CID 94337272) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is 1-[(2S)-2-ethylpiperidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-ethylpiperidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
PubChem CID94337272
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name1-[(2S)-2-ethylpiperidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
SMILESCC[C@H]1CCCCN1C(=O)CCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H29NO4/c1-5-15-8-6-7-11-20(15)18(21)10-9-14-12-16(22-2)19(24-4)17(13-14)23-3/h12-13,15H,5-11H2,1-4H3/t15-/m0/s1
InChIKeyKOTYJNKMFKYMLE-HNNXBMFYSA-N
XLogP3.44
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-benzylpyrrolidin-1-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 51337904
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 112995523
1-[2-(aminomethyl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 119468901
4-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzoic acid
CID 82071367
1-[3-(3,4,5-trimethoxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 119353900
1-[(2R)-2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]propan-1-one
CID 95158836
1-(2-ethylpiperidin-1-yl)-3-(4-morpholin-4-ylphenyl)propan-1-one
CID 110649365
1-(2-ethylazepan-1-yl)-3-methoxypropan-1-one
CID 167776443
3-(3,4-dimethoxyphenyl)sulfonyl-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 110416123
1-[2-(aminomethyl)piperidin-1-yl]-3-(3-bromo-4-methoxyphenyl)propan-1-one
CID 119467261
1-(2-ethylpyrrolidin-1-yl)butan-1-one
CID 63083979
1-[2-(aminomethyl)piperidin-1-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one;hydrochloride
CID 119466699

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-ethylpiperidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one?
The IUPAC name of 1-[(2S)-2-ethylpiperidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one (CID 94337272) is 1-[(2S)-2-ethylpiperidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one.
What is the SMILES notation for 1-[(2S)-2-ethylpiperidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one?
The canonical SMILES for 1-[(2S)-2-ethylpiperidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one is CC[C@H]1CCCCN1C(=O)CCc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 1-[(2S)-2-ethylpiperidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one?
The InChIKey is KOTYJNKMFKYMLE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-5-15-8-6-7-11-20(15)18(21)10-9-14-12-16(22-2)19(24-4)17(13-14)23-3/h12-13,15H,5-11H2,1-4H3/t15-/m0/s1.
What are the key properties of 1-[(2S)-2-ethylpiperidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one?
1-[(2S)-2-ethylpiperidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one has a molecular weight of 335.44 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-ethylpiperidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one is sourced from PubChem (CID 94337272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).