(3R)-N-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine

C23H26N2O — CID 51901465

IUPAC(3R)-N-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine
SMILESc1ccc2c(c1)CC(N1CCC[C@@H](NCc3cc4ccccc4o3)C1)C2
InChIInChI=1S/C23H26N2O/c1-2-7-18-13-21(12-17(18)6-1)25-11-5-9-20(16-25)24-15-22-14-19-8-3-4-10-23(19)26-22/h1-4,6-8,10,14,20-21,24H,5,9,11-13,15-16H2/t20-/m1/s1
InChIKeyALIREJNBQSBZQT-HXUWFJFHSA-N
MW346.47 g/mol
LogP4.15
Rot. Bonds4

About (3R)-N-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine

(3R)-N-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine (PubChem CID 51901465) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is (3R)-N-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine
PubChem CID51901465
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name(3R)-N-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine
SMILESc1ccc2c(c1)CC(N1CCC[C@@H](NCc3cc4ccccc4o3)C1)C2
InChIInChI=1S/C23H26N2O/c1-2-7-18-13-21(12-17(18)6-1)25-11-5-9-20(16-25)24-15-22-14-19-8-3-4-10-23(19)26-22/h1-4,6-8,10,14,20-21,24H,5,9,11-13,15-16H2/t20-/m1/s1
InChIKeyALIREJNBQSBZQT-HXUWFJFHSA-N
XLogP4.15
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine?
The IUPAC name of (3R)-N-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine (CID 51901465) is (3R)-N-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine.
What is the SMILES notation for (3R)-N-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine?
The canonical SMILES for (3R)-N-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine is c1ccc2c(c1)CC(N1CCC[C@@H](NCc3cc4ccccc4o3)C1)C2.
What is the InChIKey of (3R)-N-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine?
The InChIKey is ALIREJNBQSBZQT-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H26N2O/c1-2-7-18-13-21(12-17(18)6-1)25-11-5-9-20(16-25)24-15-22-14-19-8-3-4-10-23(19)26-22/h1-4,6-8,10,14,20-21,24H,5,9,11-13,15-16H2/t20-/m1/s1.
What are the key properties of (3R)-N-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine?
(3R)-N-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine has a molecular weight of 346.47 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine is sourced from PubChem (CID 51901465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).