[8-indiganyl-8-(1-methylpiperidin-4-yl)octan-4-yl] carbamate

C15H31InN2O2 — CID 173270328

IUPAC[8-indiganyl-8-(1-methylpiperidin-4-yl)octan-4-yl] carbamate
SMILESCCCC(CCCC([InH2])C1CCN(C)CC1)OC(N)=O
InChIInChI=1S/C15H29N2O2.In.2H/c1-3-6-14(19-15(16)18)8-5-4-7-13-9-11-17(2)12-10-13;;;/h7,13-14H,3-6,8-12H2,1-2H3,(H2,16,18);;;
InChIKeySEPKFWIQMIWXAI-UHFFFAOYSA-N
MW386.24 g/mol
LogP2.18
Rot. Bonds8

About [8-indiganyl-8-(1-methylpiperidin-4-yl)octan-4-yl] carbamate

[8-indiganyl-8-(1-methylpiperidin-4-yl)octan-4-yl] carbamate (PubChem CID 173270328) has the molecular formula C15H31InN2O2 and a molecular weight of 386.24 g/mol. Its IUPAC name is [8-indiganyl-8-(1-methylpiperidin-4-yl)octan-4-yl] carbamate.

Molecular Properties

Compound Name[8-indiganyl-8-(1-methylpiperidin-4-yl)octan-4-yl] carbamate
PubChem CID173270328
Molecular FormulaC15H31InN2O2
Molecular Weight386.24 g/mol
Exact Mass386.14
IUPAC Name[8-indiganyl-8-(1-methylpiperidin-4-yl)octan-4-yl] carbamate
SMILESCCCC(CCCC([InH2])C1CCN(C)CC1)OC(N)=O
InChIInChI=1S/C15H29N2O2.In.2H/c1-3-6-14(19-15(16)18)8-5-4-7-13-9-11-17(2)12-10-13;;;/h7,13-14H,3-6,8-12H2,1-2H3,(H2,16,18);;;
InChIKeySEPKFWIQMIWXAI-UHFFFAOYSA-N
XLogP2.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.24
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [8-indiganyl-8-(1-methylpiperidin-4-yl)octan-4-yl] carbamate?
The IUPAC name of [8-indiganyl-8-(1-methylpiperidin-4-yl)octan-4-yl] carbamate (CID 173270328) is [8-indiganyl-8-(1-methylpiperidin-4-yl)octan-4-yl] carbamate.
What is the SMILES notation for [8-indiganyl-8-(1-methylpiperidin-4-yl)octan-4-yl] carbamate?
The canonical SMILES for [8-indiganyl-8-(1-methylpiperidin-4-yl)octan-4-yl] carbamate is CCCC(CCCC([InH2])C1CCN(C)CC1)OC(N)=O.
What is the InChIKey of [8-indiganyl-8-(1-methylpiperidin-4-yl)octan-4-yl] carbamate?
The InChIKey is SEPKFWIQMIWXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N2O2.In.2H/c1-3-6-14(19-15(16)18)8-5-4-7-13-9-11-17(2)12-10-13;;;/h7,13-14H,3-6,8-12H2,1-2H3,(H2,16,18);;;.
What are the key properties of [8-indiganyl-8-(1-methylpiperidin-4-yl)octan-4-yl] carbamate?
[8-indiganyl-8-(1-methylpiperidin-4-yl)octan-4-yl] carbamate has a molecular weight of 386.24 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-indiganyl-8-(1-methylpiperidin-4-yl)octan-4-yl] carbamate is sourced from PubChem (CID 173270328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).