methyl 4-[[2-(1-methylindol-3-yl)acetyl]amino]piperidine-1-carboxylate

C18H23N3O3 — CID 86859520

IUPACmethyl 4-[[2-(1-methylindol-3-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)Cc2cn(C)c3ccccc23)CC1
InChIInChI=1S/C18H23N3O3/c1-20-12-13(15-5-3-4-6-16(15)20)11-17(22)19-14-7-9-21(10-8-14)18(23)24-2/h3-6,12,14H,7-11H2,1-2H3,(H,19,22)
InChIKeyIXRRKJQMDLGTCS-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.07
Rot. Bonds3

About methyl 4-[[2-(1-methylindol-3-yl)acetyl]amino]piperidine-1-carboxylate

methyl 4-[[2-(1-methylindol-3-yl)acetyl]amino]piperidine-1-carboxylate (PubChem CID 86859520) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is methyl 4-[[2-(1-methylindol-3-yl)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-(1-methylindol-3-yl)acetyl]amino]piperidine-1-carboxylate
PubChem CID86859520
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Namemethyl 4-[[2-(1-methylindol-3-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)Cc2cn(C)c3ccccc23)CC1
InChIInChI=1S/C18H23N3O3/c1-20-12-13(15-5-3-4-6-16(15)20)11-17(22)19-14-7-9-21(10-8-14)18(23)24-2/h3-6,12,14H,7-11H2,1-2H3,(H,19,22)
InChIKeyIXRRKJQMDLGTCS-UHFFFAOYSA-N
XLogP2.07
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxyethyl)piperidin-4-yl]-2-(1-methylindol-3-yl)acetamide
CID 71784688
formic acid;N-[1-(2-methoxyethyl)piperidin-4-yl]-2-(1-methylindol-3-yl)acetamide
CID 71784687
methyl 4-[[2-(2-fluorophenyl)acetyl]amino]piperidine-1-carboxylate
CID 110821770
N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(1-methylindol-3-yl)acetamide
CID 98783390
1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 96668513
N-[(4S)-2,2-dimethyloxan-4-yl]-2-(1-methylindol-3-yl)acetamide
CID 96544646
2-(1-methylindol-3-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 70783175
N-(2-methoxyethyl)-2-(1-methylindol-3-yl)acetamide
CID 3237946
2-cyclopentyl-N-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]acetamide
CID 126792582
N-[1-(furan-2-carbonyl)piperidin-3-yl]-2-(1-methylindol-3-yl)acetamide
CID 131907095
methyl 4-(naphthalene-1-carbonylamino)piperidine-1-carboxylate
CID 108561371
N-(5-chloro-2,4-dimethoxyphenyl)-2-(1-methylindol-3-yl)acetamide
CID 20851579

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(1-methylindol-3-yl)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[[2-(1-methylindol-3-yl)acetyl]amino]piperidine-1-carboxylate (CID 86859520) is methyl 4-[[2-(1-methylindol-3-yl)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[[2-(1-methylindol-3-yl)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[[2-(1-methylindol-3-yl)acetyl]amino]piperidine-1-carboxylate is COC(=O)N1CCC(NC(=O)Cc2cn(C)c3ccccc23)CC1.
What is the InChIKey of methyl 4-[[2-(1-methylindol-3-yl)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is IXRRKJQMDLGTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-20-12-13(15-5-3-4-6-16(15)20)11-17(22)19-14-7-9-21(10-8-14)18(23)24-2/h3-6,12,14H,7-11H2,1-2H3,(H,19,22).
What are the key properties of methyl 4-[[2-(1-methylindol-3-yl)acetyl]amino]piperidine-1-carboxylate?
methyl 4-[[2-(1-methylindol-3-yl)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(1-methylindol-3-yl)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 86859520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).