(3R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine

C21H24N4O — CID 29150876

IUPAC(3R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine
SMILESc1ccc2c(c1)CC(N1CCC[C@@H](NCc3ccc4nonc4c3)C1)C2
InChIInChI=1S/C21H24N4O/c1-2-5-17-12-19(11-16(17)4-1)25-9-3-6-18(14-25)22-13-15-7-8-20-21(10-15)24-26-23-20/h1-2,4-5,7-8,10,18-19,22H,3,6,9,11-14H2/t18-/m1/s1
InChIKeyDXIFJDGLWVZRBJ-GOSISDBHSA-N
MW348.45 g/mol
LogP2.94
Rot. Bonds4

About (3R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine

(3R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine (PubChem CID 29150876) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is (3R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine
PubChem CID29150876
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name(3R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine
SMILESc1ccc2c(c1)CC(N1CCC[C@@H](NCc3ccc4nonc4c3)C1)C2
InChIInChI=1S/C21H24N4O/c1-2-5-17-12-19(11-16(17)4-1)25-9-3-6-18(14-25)22-13-15-7-8-20-21(10-15)24-26-23-20/h1-2,4-5,7-8,10,18-19,22H,3,6,9,11-14H2/t18-/m1/s1
InChIKeyDXIFJDGLWVZRBJ-GOSISDBHSA-N
XLogP2.94
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine?
The IUPAC name of (3R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine (CID 29150876) is (3R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine.
What is the SMILES notation for (3R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine?
The canonical SMILES for (3R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine is c1ccc2c(c1)CC(N1CCC[C@@H](NCc3ccc4nonc4c3)C1)C2.
What is the InChIKey of (3R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine?
The InChIKey is DXIFJDGLWVZRBJ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24N4O/c1-2-5-17-12-19(11-16(17)4-1)25-9-3-6-18(14-25)22-13-15-7-8-20-21(10-15)24-26-23-20/h1-2,4-5,7-8,10,18-19,22H,3,6,9,11-14H2/t18-/m1/s1.
What are the key properties of (3R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine?
(3R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine has a molecular weight of 348.45 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine is sourced from PubChem (CID 29150876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).