methyl 4-(1-methylindol-2-yl)piperidine-1-carboxylate

C16H20N2O2 — CID 113087974

IUPACmethyl 4-(1-methylindol-2-yl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2cc3ccccc3n2C)CC1
InChIInChI=1S/C16H20N2O2/c1-17-14-6-4-3-5-13(14)11-15(17)12-7-9-18(10-8-12)16(19)20-2/h3-6,11-12H,7-10H2,1-2H3
InChIKeyNTTNCGIOWIEXPV-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.12
Rot. Bonds1

About methyl 4-(1-methylindol-2-yl)piperidine-1-carboxylate

methyl 4-(1-methylindol-2-yl)piperidine-1-carboxylate (PubChem CID 113087974) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is methyl 4-(1-methylindol-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1-methylindol-2-yl)piperidine-1-carboxylate
PubChem CID113087974
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Namemethyl 4-(1-methylindol-2-yl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2cc3ccccc3n2C)CC1
InChIInChI=1S/C16H20N2O2/c1-17-14-6-4-3-5-13(14)11-15(17)12-7-9-18(10-8-12)16(19)20-2/h3-6,11-12H,7-10H2,1-2H3
InChIKeyNTTNCGIOWIEXPV-UHFFFAOYSA-N
XLogP3.12
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dimethoxyphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088442
cyclobutyl-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088482
(4-fluorophenyl)-[4-(1-methylindol-2-yl)piperidin-1-yl]methanone
CID 113087934
2-(4-chlorophenyl)-1-[4-(1-methylindol-2-yl)piperidin-1-yl]ethanone
CID 113087949
1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]pentan-1-one
CID 113088420
tert-butyl (3R)-3-(1-methylindol-2-yl)piperidine-1-carboxylate
CID 97181730
(4-fluorophenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088434
1-methyl-2-(1-methylsulfonylpiperidin-4-yl)indole
CID 113087981
(3,4-dimethylphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088443
2-(2-bromophenyl)-1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]ethanone
CID 113088481
methyl 3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate
CID 110646938
ethane;methyl 3-pyridin-2-ylpyrrolidine-1-carboxylate
CID 123830280

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-methylindol-2-yl)piperidine-1-carboxylate?
The IUPAC name of methyl 4-(1-methylindol-2-yl)piperidine-1-carboxylate (CID 113087974) is methyl 4-(1-methylindol-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-(1-methylindol-2-yl)piperidine-1-carboxylate?
The canonical SMILES for methyl 4-(1-methylindol-2-yl)piperidine-1-carboxylate is COC(=O)N1CCC(c2cc3ccccc3n2C)CC1.
What is the InChIKey of methyl 4-(1-methylindol-2-yl)piperidine-1-carboxylate?
The InChIKey is NTTNCGIOWIEXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-17-14-6-4-3-5-13(14)11-15(17)12-7-9-18(10-8-12)16(19)20-2/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of methyl 4-(1-methylindol-2-yl)piperidine-1-carboxylate?
methyl 4-(1-methylindol-2-yl)piperidine-1-carboxylate has a molecular weight of 272.35 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-methylindol-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 113087974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).