methyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-4-carboxylate

C17H20N2O3 — CID 112531678

IUPACmethyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)Cc2ccc3cc[nH]c3c2)CC1
InChIInChI=1S/C17H20N2O3/c1-22-17(21)14-5-8-19(9-6-14)16(20)11-12-2-3-13-4-7-18-15(13)10-12/h2-4,7,10,14,18H,5-6,8-9,11H2,1H3
InChIKeyXTFFKDLNYVKIKW-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.12
Rot. Bonds3

About methyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-4-carboxylate

methyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-4-carboxylate (PubChem CID 112531678) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is methyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-4-carboxylate
PubChem CID112531678
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Namemethyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)Cc2ccc3cc[nH]c3c2)CC1
InChIInChI=1S/C17H20N2O3/c1-22-17(21)14-5-8-19(9-6-14)16(20)11-12-2-3-13-4-7-18-15(13)10-12/h2-4,7,10,14,18H,5-6,8-9,11H2,1H3
InChIKeyXTFFKDLNYVKIKW-UHFFFAOYSA-N
XLogP2.12
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(hydroxymethyl)piperidin-1-yl]-2-(1H-indol-6-yl)ethanone
CID 112531741
1-(4-ethylpiperazin-1-yl)-2-(1H-indol-6-yl)ethanone
CID 84577281
methyl 1-[2-(4-fluoro-3-hydroxyphenyl)acetyl]piperidine-4-carboxylate
CID 170456736
ethyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-3-carboxylate
CID 84577392
1-(3-aminopiperidin-1-yl)-2-(1H-indol-6-yl)ethanone
CID 112530969
methyl 1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]pyrrolidine-3-carboxylate
CID 112733683
ethyl 1-[2-(3H-benzimidazol-5-yl)acetyl]piperidine-4-carboxylate
CID 110772416
ethyl 1-(1H-indole-6-carbonyl)piperidine-4-carboxylate
CID 39715931
methyl 1-[3-(3,4-dimethylphenyl)propanoyl]piperidine-4-carboxylate
CID 100539386
methyl 1-[2-[(2-phenylacetyl)amino]acetyl]piperidine-4-carboxylate
CID 51166527
1-[2-(4-methoxyphenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 46420386
methyl 1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate
CID 103762652

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-4-carboxylate (CID 112531678) is methyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)Cc2ccc3cc[nH]c3c2)CC1.
What is the InChIKey of methyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-4-carboxylate?
The InChIKey is XTFFKDLNYVKIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-22-17(21)14-5-8-19(9-6-14)16(20)11-12-2-3-13-4-7-18-15(13)10-12/h2-4,7,10,14,18H,5-6,8-9,11H2,1H3.
What are the key properties of methyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-4-carboxylate?
methyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-4-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 112531678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).