(3-aminoazetidin-1-yl)-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone

C23H34N4O — CID 56876998

About (3-aminoazetidin-1-yl)-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone

(3-aminoazetidin-1-yl)-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone (PubChem CID 56876998) has the molecular formula C23H34N4O and a molecular weight of 382.55 g/mol. Its IUPAC name is (3-aminoazetidin-1-yl)-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone.

Molecular Properties

• Compound Name: (3-aminoazetidin-1-yl)-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone
• PubChem CID: 56876998
• Molecular Formula: C23H34N4O
• Molecular Weight: 382.55 g/mol
• Exact Mass: 382.27
• IUPAC Name: (3-aminoazetidin-1-yl)-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone
• SMILES: NC1CN(C(=O)C2CCCN(C3CCN(C4Cc5ccccc5C4)CC3)C2)C1
• InChI: InChI=1S/C23H34N4O/c24-20-15-27(16-20)23(28)19-6-3-9-26(14-19)21-7-10-25(11-8-21)22-12-17-4-1-2-5-18(17)13-22/h1-2,4-5,19-22H,3,6-16,24H2
• InChIKey: JHOXOLCIKSNORG-UHFFFAOYSA-N
• XLogP: 1.50
• TPSA: 52.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.55
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3-aminoazetidin-1-yl)-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone?

The IUPAC name of (3-aminoazetidin-1-yl)-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone (CID 56876998) is (3-aminoazetidin-1-yl)-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone.

What is the SMILES notation for (3-aminoazetidin-1-yl)-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone?

The canonical SMILES for (3-aminoazetidin-1-yl)-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone is NC1CN(C(=O)C2CCCN(C3CCN(C4Cc5ccccc5C4)CC3)C2)C1.

What is the InChIKey of (3-aminoazetidin-1-yl)-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone?

The InChIKey is JHOXOLCIKSNORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O/c24-20-15-27(16-20)23(28)19-6-3-9-26(14-19)21-7-10-25(11-8-21)22-12-17-4-1-2-5-18(17)13-22/h1-2,4-5,19-22H,3,6-16,24H2.

What are the key properties of (3-aminoazetidin-1-yl)-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone?

(3-aminoazetidin-1-yl)-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone has a molecular weight of 382.55 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3-aminoazetidin-1-yl)-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone is sourced from PubChem (CID 56876998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).