(1-benzylpiperidin-4-yl) 1-amino-2,3-dihydroindene-1-carboxylate

C22H26N2O2 — CID 129186517

IUPAC(1-benzylpiperidin-4-yl) 1-amino-2,3-dihydroindene-1-carboxylate
SMILESNC1(C(=O)OC2CCN(Cc3ccccc3)CC2)CCc2ccccc21
InChIInChI=1S/C22H26N2O2/c23-22(13-10-18-8-4-5-9-20(18)22)21(25)26-19-11-14-24(15-12-19)16-17-6-2-1-3-7-17/h1-9,19H,10-16,23H2
InChIKeyRDRUJLDXJUHXLI-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.99
Rot. Bonds4

About (1-benzylpiperidin-4-yl) 1-amino-2,3-dihydroindene-1-carboxylate

(1-benzylpiperidin-4-yl) 1-amino-2,3-dihydroindene-1-carboxylate (PubChem CID 129186517) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (1-benzylpiperidin-4-yl) 1-amino-2,3-dihydroindene-1-carboxylate.

Molecular Properties

Compound Name(1-benzylpiperidin-4-yl) 1-amino-2,3-dihydroindene-1-carboxylate
PubChem CID129186517
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(1-benzylpiperidin-4-yl) 1-amino-2,3-dihydroindene-1-carboxylate
SMILESNC1(C(=O)OC2CCN(Cc3ccccc3)CC2)CCc2ccccc21
InChIInChI=1S/C22H26N2O2/c23-22(13-10-18-8-4-5-9-20(18)22)21(25)26-19-11-14-24(15-12-19)16-17-6-2-1-3-7-17/h1-9,19H,10-16,23H2
InChIKeyRDRUJLDXJUHXLI-UHFFFAOYSA-N
XLogP2.99
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-benzylpiperidin-4-yl) 1-amino-2,3-dihydroindene-1-carboxylate?
The IUPAC name of (1-benzylpiperidin-4-yl) 1-amino-2,3-dihydroindene-1-carboxylate (CID 129186517) is (1-benzylpiperidin-4-yl) 1-amino-2,3-dihydroindene-1-carboxylate.
What is the SMILES notation for (1-benzylpiperidin-4-yl) 1-amino-2,3-dihydroindene-1-carboxylate?
The canonical SMILES for (1-benzylpiperidin-4-yl) 1-amino-2,3-dihydroindene-1-carboxylate is NC1(C(=O)OC2CCN(Cc3ccccc3)CC2)CCc2ccccc21.
What is the InChIKey of (1-benzylpiperidin-4-yl) 1-amino-2,3-dihydroindene-1-carboxylate?
The InChIKey is RDRUJLDXJUHXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c23-22(13-10-18-8-4-5-9-20(18)22)21(25)26-19-11-14-24(15-12-19)16-17-6-2-1-3-7-17/h1-9,19H,10-16,23H2.
What are the key properties of (1-benzylpiperidin-4-yl) 1-amino-2,3-dihydroindene-1-carboxylate?
(1-benzylpiperidin-4-yl) 1-amino-2,3-dihydroindene-1-carboxylate has a molecular weight of 350.46 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-4-yl) 1-amino-2,3-dihydroindene-1-carboxylate is sourced from PubChem (CID 129186517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).