2-methylpropyl 4-(1H-indol-4-yloxy)piperidine-1-carboxylate

C18H24N2O3 — CID 68843107

IUPAC2-methylpropyl 4-(1H-indol-4-yloxy)piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(Oc2cccc3[nH]ccc23)CC1
InChIInChI=1S/C18H24N2O3/c1-13(2)12-22-18(21)20-10-7-14(8-11-20)23-17-5-3-4-16-15(17)6-9-19-16/h3-6,9,13-14,19H,7-8,10-12H2,1-2H3
InChIKeyXEGPKKDUGYIOBP-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.80
Rot. Bonds4

About 2-methylpropyl 4-(1H-indol-4-yloxy)piperidine-1-carboxylate

2-methylpropyl 4-(1H-indol-4-yloxy)piperidine-1-carboxylate (PubChem CID 68843107) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-methylpropyl 4-(1H-indol-4-yloxy)piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-(1H-indol-4-yloxy)piperidine-1-carboxylate
PubChem CID68843107
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-methylpropyl 4-(1H-indol-4-yloxy)piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(Oc2cccc3[nH]ccc23)CC1
InChIInChI=1S/C18H24N2O3/c1-13(2)12-22-18(21)20-10-7-14(8-11-20)23-17-5-3-4-16-15(17)6-9-19-16/h3-6,9,13-14,19H,7-8,10-12H2,1-2H3
InChIKeyXEGPKKDUGYIOBP-UHFFFAOYSA-N
XLogP3.80
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1H-indol-4-yloxy)piperidin-1-yl]-(oxan-4-yl)methanone
CID 126951435
2-methylpropyl 4-(3-fluorophenoxy)piperidine-1-carboxylate
CID 68837389
[4-(1H-indol-4-yloxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126951449
2-[4-(1H-indol-4-yloxy)piperidin-1-yl]cyclobutan-1-ol
CID 126951743
1H-indol-4-yl piperazine-1-carboxylate
CID 152749012
2-methylpropyl 4-[[1-(2-fluoro-4-methylsulfonylphenyl)-2,3-dihydroindol-4-yl]oxy]piperidine-1-carboxylate
CID 68843270
5-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 126951612
1-[2-[4-(1H-indol-4-yloxy)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 126951691
4-[4-(1H-indol-4-yloxy)piperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one
CID 126951467
2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate
CID 21025591
4-[1-(1,4-dioxepan-6-ylmethyl)piperidin-4-yl]oxy-1H-indole
CID 126951709
4-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]oxy-1H-indole
CID 126951596

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-(1H-indol-4-yloxy)piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-(1H-indol-4-yloxy)piperidine-1-carboxylate (CID 68843107) is 2-methylpropyl 4-(1H-indol-4-yloxy)piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-(1H-indol-4-yloxy)piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-(1H-indol-4-yloxy)piperidine-1-carboxylate is CC(C)COC(=O)N1CCC(Oc2cccc3[nH]ccc23)CC1.
What is the InChIKey of 2-methylpropyl 4-(1H-indol-4-yloxy)piperidine-1-carboxylate?
The InChIKey is XEGPKKDUGYIOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13(2)12-22-18(21)20-10-7-14(8-11-20)23-17-5-3-4-16-15(17)6-9-19-16/h3-6,9,13-14,19H,7-8,10-12H2,1-2H3.
What are the key properties of 2-methylpropyl 4-(1H-indol-4-yloxy)piperidine-1-carboxylate?
2-methylpropyl 4-(1H-indol-4-yloxy)piperidine-1-carboxylate has a molecular weight of 316.40 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-(1H-indol-4-yloxy)piperidine-1-carboxylate is sourced from PubChem (CID 68843107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).