1-[(3S)-3-methoxypiperidin-1-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone

C19H26N2O2 — CID 97118070

IUPAC1-[(3S)-3-methoxypiperidin-1-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone
SMILESCO[C@H]1CCCN(C(=O)Cc2c(C)[nH]c3c(C)cc(C)cc23)C1
InChIInChI=1S/C19H26N2O2/c1-12-8-13(2)19-17(9-12)16(14(3)20-19)10-18(22)21-7-5-6-15(11-21)23-4/h8-9,15,20H,5-7,10-11H2,1-4H3/t15-/m0/s1
InChIKeyMULWFIFVXDEQGV-HNNXBMFYSA-N
MW314.43 g/mol
LogP3.27
Rot. Bonds3

About 1-[(3S)-3-methoxypiperidin-1-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone

1-[(3S)-3-methoxypiperidin-1-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone (PubChem CID 97118070) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[(3S)-3-methoxypiperidin-1-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[(3S)-3-methoxypiperidin-1-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone
PubChem CID97118070
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-[(3S)-3-methoxypiperidin-1-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone
SMILESCO[C@H]1CCCN(C(=O)Cc2c(C)[nH]c3c(C)cc(C)cc23)C1
InChIInChI=1S/C19H26N2O2/c1-12-8-13(2)19-17(9-12)16(14(3)20-19)10-18(22)21-7-5-6-15(11-21)23-4/h8-9,15,20H,5-7,10-11H2,1-4H3/t15-/m0/s1
InChIKeyMULWFIFVXDEQGV-HNNXBMFYSA-N
XLogP3.27
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-[(2S)-2-(hydroxymethyl)piperidin-1-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone
CID 97156000
1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone
CID 97119155
1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone
CID 97119156
2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]benzoic acid
CID 103932666
2-amino-1-(3-methoxypiperidin-1-yl)ethanone
CID 66564450
6,8-dimethyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
CID 110331580
1-(3-methoxypiperidin-1-yl)-2-(methylamino)ethanone
CID 103809291
4-[(3S)-3-methoxypiperidin-1-yl]-4-oxobutanoic acid
CID 129412716
2-(2,5-dimethyl-1H-indol-3-yl)-1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone
CID 51935933
1-[2-(2,4,6-trimethylphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 120533845
(3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone
CID 122545527
(3S)-1-[2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetyl]piperidine-3-carboxamide
CID 172675174

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-methoxypiperidin-1-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone?
The IUPAC name of 1-[(3S)-3-methoxypiperidin-1-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone (CID 97118070) is 1-[(3S)-3-methoxypiperidin-1-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[(3S)-3-methoxypiperidin-1-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[(3S)-3-methoxypiperidin-1-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone is CO[C@H]1CCCN(C(=O)Cc2c(C)[nH]c3c(C)cc(C)cc23)C1.
What is the InChIKey of 1-[(3S)-3-methoxypiperidin-1-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone?
The InChIKey is MULWFIFVXDEQGV-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-12-8-13(2)19-17(9-12)16(14(3)20-19)10-18(22)21-7-5-6-15(11-21)23-4/h8-9,15,20H,5-7,10-11H2,1-4H3/t15-/m0/s1.
What are the key properties of 1-[(3S)-3-methoxypiperidin-1-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone?
1-[(3S)-3-methoxypiperidin-1-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone has a molecular weight of 314.43 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-methoxypiperidin-1-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 97118070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).