[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl carbamate

C24H35N3O2 — CID 135367933

IUPAC[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl carbamate
SMILESCC(C)C1CCC(N2CCC(n3c(COC(N)=O)cc4ccccc43)CC2)CC1
InChIInChI=1S/C24H35N3O2/c1-17(2)18-7-9-20(10-8-18)26-13-11-21(12-14-26)27-22(16-29-24(25)28)15-19-5-3-4-6-23(19)27/h3-6,15,17-18,20-21H,7-14,16H2,1-2H3,(H2,25,28)
InChIKeyRAWRDTDBRPXISH-UHFFFAOYSA-N
MW397.56 g/mol
LogP5.09
Rot. Bonds5

About [1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl carbamate

[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl carbamate (PubChem CID 135367933) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is [1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl carbamate.

Molecular Properties

Compound Name[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl carbamate
PubChem CID135367933
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC Name[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl carbamate
SMILESCC(C)C1CCC(N2CCC(n3c(COC(N)=O)cc4ccccc43)CC2)CC1
InChIInChI=1S/C24H35N3O2/c1-17(2)18-7-9-20(10-8-18)26-13-11-21(12-14-26)27-22(16-29-24(25)28)15-19-5-3-4-6-23(19)27/h3-6,15,17-18,20-21H,7-14,16H2,1-2H3,(H2,25,28)
InChIKeyRAWRDTDBRPXISH-UHFFFAOYSA-N
XLogP5.09
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.56
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl carbamate?
The IUPAC name of [1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl carbamate (CID 135367933) is [1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl carbamate.
What is the SMILES notation for [1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl carbamate?
The canonical SMILES for [1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl carbamate is CC(C)C1CCC(N2CCC(n3c(COC(N)=O)cc4ccccc43)CC2)CC1.
What is the InChIKey of [1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl carbamate?
The InChIKey is RAWRDTDBRPXISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2/c1-17(2)18-7-9-20(10-8-18)26-13-11-21(12-14-26)27-22(16-29-24(25)28)15-19-5-3-4-6-23(19)27/h3-6,15,17-18,20-21H,7-14,16H2,1-2H3,(H2,25,28).
What are the key properties of [1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl carbamate?
[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl carbamate has a molecular weight of 397.56 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl carbamate is sourced from PubChem (CID 135367933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).