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

C24H30N2O2 — CID 162669333

IUPAC[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl] N-(4-propan-2-ylphenyl)carbamate
SMILESCC(C)c1ccc(NC(=O)OC2CCCN(C3Cc4ccccc4C3)C2)cc1
InChIInChI=1S/C24H30N2O2/c1-17(2)18-9-11-21(12-10-18)25-24(27)28-23-8-5-13-26(16-23)22-14-19-6-3-4-7-20(19)15-22/h3-4,6-7,9-12,17,22-23H,5,8,13-16H2,1-2H3,(H,25,27)
InChIKeyDOQSUJLBOVDRML-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.99
Rot. Bonds4

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

[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl] N-(4-propan-2-ylphenyl)carbamate (PubChem CID 162669333) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl] N-(4-propan-2-ylphenyl)carbamate.

Molecular Properties

Compound Name[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl] N-(4-propan-2-ylphenyl)carbamate
PubChem CID162669333
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl] N-(4-propan-2-ylphenyl)carbamate
SMILESCC(C)c1ccc(NC(=O)OC2CCCN(C3Cc4ccccc4C3)C2)cc1
InChIInChI=1S/C24H30N2O2/c1-17(2)18-9-11-21(12-10-18)25-24(27)28-23-8-5-13-26(16-23)22-14-19-6-3-4-7-20(19)15-22/h3-4,6-7,9-12,17,22-23H,5,8,13-16H2,1-2H3,(H,25,27)
InChIKeyDOQSUJLBOVDRML-UHFFFAOYSA-N
XLogP4.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.99
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] N-(4-propan-2-ylphenyl)carbamate?
The IUPAC name of [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl] N-(4-propan-2-ylphenyl)carbamate (CID 162669333) is [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl] N-(4-propan-2-ylphenyl)carbamate.
What is the SMILES notation for [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl] N-(4-propan-2-ylphenyl)carbamate?
The canonical SMILES for [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl] N-(4-propan-2-ylphenyl)carbamate is CC(C)c1ccc(NC(=O)OC2CCCN(C3Cc4ccccc4C3)C2)cc1.
What is the InChIKey of [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl] N-(4-propan-2-ylphenyl)carbamate?
The InChIKey is DOQSUJLBOVDRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-17(2)18-9-11-21(12-10-18)25-24(27)28-23-8-5-13-26(16-23)22-14-19-6-3-4-7-20(19)15-22/h3-4,6-7,9-12,17,22-23H,5,8,13-16H2,1-2H3,(H,25,27).
What are the key properties of [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl] N-(4-propan-2-ylphenyl)carbamate?
[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl] N-(4-propan-2-ylphenyl)carbamate has a molecular weight of 378.52 g/mol, XLogP of 4.99, 4 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] N-(4-propan-2-ylphenyl)carbamate is sourced from PubChem (CID 162669333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).