[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-(4-propan-2-ylphenyl)carbamate

C25H32N2O2 — CID 162668159

IUPAC[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-(4-propan-2-ylphenyl)carbamate
SMILESCC(C)c1ccc(NC(=O)OCC2CCCN(C3Cc4ccccc4C3)C2)cc1
InChIInChI=1S/C25H32N2O2/c1-18(2)20-9-11-23(12-10-20)26-25(28)29-17-19-6-5-13-27(16-19)24-14-21-7-3-4-8-22(21)15-24/h3-4,7-12,18-19,24H,5-6,13-17H2,1-2H3,(H,26,28)
InChIKeyUOOJEAOFHZRSSH-UHFFFAOYSA-N
MW392.54 g/mol
LogP5.24
Rot. Bonds5

About [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-(4-propan-2-ylphenyl)carbamate

[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-(4-propan-2-ylphenyl)carbamate (PubChem CID 162668159) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-(4-propan-2-ylphenyl)carbamate.

Molecular Properties

Compound Name[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-(4-propan-2-ylphenyl)carbamate
PubChem CID162668159
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-(4-propan-2-ylphenyl)carbamate
SMILESCC(C)c1ccc(NC(=O)OCC2CCCN(C3Cc4ccccc4C3)C2)cc1
InChIInChI=1S/C25H32N2O2/c1-18(2)20-9-11-23(12-10-20)26-25(28)29-17-19-6-5-13-27(16-19)24-14-21-7-3-4-8-22(21)15-24/h3-4,7-12,18-19,24H,5-6,13-17H2,1-2H3,(H,26,28)
InChIKeyUOOJEAOFHZRSSH-UHFFFAOYSA-N
XLogP5.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-(4-propan-2-ylphenyl)carbamate?
The IUPAC name of [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-(4-propan-2-ylphenyl)carbamate (CID 162668159) is [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-(4-propan-2-ylphenyl)carbamate.
What is the SMILES notation for [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-(4-propan-2-ylphenyl)carbamate?
The canonical SMILES for [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-(4-propan-2-ylphenyl)carbamate is CC(C)c1ccc(NC(=O)OCC2CCCN(C3Cc4ccccc4C3)C2)cc1.
What is the InChIKey of [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-(4-propan-2-ylphenyl)carbamate?
The InChIKey is UOOJEAOFHZRSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-18(2)20-9-11-23(12-10-20)26-25(28)29-17-19-6-5-13-27(16-19)24-14-21-7-3-4-8-22(21)15-24/h3-4,7-12,18-19,24H,5-6,13-17H2,1-2H3,(H,26,28).
What are the key properties of [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-(4-propan-2-ylphenyl)carbamate?
[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-(4-propan-2-ylphenyl)carbamate has a molecular weight of 392.54 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-(4-propan-2-ylphenyl)carbamate is sourced from PubChem (CID 162668159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).