methyl 2-[(2S,3R,4S)-2-(1H-indol-3-yl)-1,3-dimethylpiperidin-4-yl]acetate

C18H24N2O2 — CID 14863910

IUPACmethyl 2-[(2S,3R,4S)-2-(1H-indol-3-yl)-1,3-dimethylpiperidin-4-yl]acetate
SMILESCOC(=O)C[C@@H]1CCN(C)[C@H](c2c[nH]c3ccccc23)[C@@H]1C
InChIInChI=1S/C18H24N2O2/c1-12-13(10-17(21)22-3)8-9-20(2)18(12)15-11-19-16-7-5-4-6-14(15)16/h4-7,11-13,18-19H,8-10H2,1-3H3/t12-,13+,18+/m1/s1
InChIKeyQECZSASBLMKPMW-VBHSOAQHSA-N
MW300.40 g/mol
LogP3.36
Rot. Bonds3

About methyl 2-[(2S,3R,4S)-2-(1H-indol-3-yl)-1,3-dimethylpiperidin-4-yl]acetate

methyl 2-[(2S,3R,4S)-2-(1H-indol-3-yl)-1,3-dimethylpiperidin-4-yl]acetate (PubChem CID 14863910) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is methyl 2-[(2S,3R,4S)-2-(1H-indol-3-yl)-1,3-dimethylpiperidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S,3R,4S)-2-(1H-indol-3-yl)-1,3-dimethylpiperidin-4-yl]acetate
PubChem CID14863910
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Namemethyl 2-[(2S,3R,4S)-2-(1H-indol-3-yl)-1,3-dimethylpiperidin-4-yl]acetate
SMILESCOC(=O)C[C@@H]1CCN(C)[C@H](c2c[nH]c3ccccc23)[C@@H]1C
InChIInChI=1S/C18H24N2O2/c1-12-13(10-17(21)22-3)8-9-20(2)18(12)15-11-19-16-7-5-4-6-14(15)16/h4-7,11-13,18-19H,8-10H2,1-3H3/t12-,13+,18+/m1/s1
InChIKeyQECZSASBLMKPMW-VBHSOAQHSA-N
XLogP3.36
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[(2S,3R,4S)-2-(1H-indol-3-yl)-1,3-dimethylpiperidin-4-yl]acetate with MolForge

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Related Compounds

[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 84559095
methyl 2-(1H-indole-3-carbonylamino)acetate
CID 43406378
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 110711026
methyl 2-(1H-indol-3-yl)-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylate
CID 134933961
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 84559294
3-(1H-indol-3-yl)-2-[2-(4-methylpiperidin-1-yl)ethyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CID 71168875
2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide
CID 155948642
N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]benzamide
CID 54526531
ethyl 3-(1H-indol-3-yl)pyrrolidine-1-carboxylate
CID 110711039
N-[(4-methylcyclohexyl)methyl]-1H-indole-3-carboxamide
CID 61381158
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 70686769

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S,3R,4S)-2-(1H-indol-3-yl)-1,3-dimethylpiperidin-4-yl]acetate?
The IUPAC name of methyl 2-[(2S,3R,4S)-2-(1H-indol-3-yl)-1,3-dimethylpiperidin-4-yl]acetate (CID 14863910) is methyl 2-[(2S,3R,4S)-2-(1H-indol-3-yl)-1,3-dimethylpiperidin-4-yl]acetate.
What is the SMILES notation for methyl 2-[(2S,3R,4S)-2-(1H-indol-3-yl)-1,3-dimethylpiperidin-4-yl]acetate?
The canonical SMILES for methyl 2-[(2S,3R,4S)-2-(1H-indol-3-yl)-1,3-dimethylpiperidin-4-yl]acetate is COC(=O)C[C@@H]1CCN(C)[C@H](c2c[nH]c3ccccc23)[C@@H]1C.
What is the InChIKey of methyl 2-[(2S,3R,4S)-2-(1H-indol-3-yl)-1,3-dimethylpiperidin-4-yl]acetate?
The InChIKey is QECZSASBLMKPMW-VBHSOAQHSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12-13(10-17(21)22-3)8-9-20(2)18(12)15-11-19-16-7-5-4-6-14(15)16/h4-7,11-13,18-19H,8-10H2,1-3H3/t12-,13+,18+/m1/s1.
What are the key properties of methyl 2-[(2S,3R,4S)-2-(1H-indol-3-yl)-1,3-dimethylpiperidin-4-yl]acetate?
methyl 2-[(2S,3R,4S)-2-(1H-indol-3-yl)-1,3-dimethylpiperidin-4-yl]acetate has a molecular weight of 300.40 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S,3R,4S)-2-(1H-indol-3-yl)-1,3-dimethylpiperidin-4-yl]acetate is sourced from PubChem (CID 14863910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).