1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[3-(methylamino)propyl]piperidine-3-carboxamide;dihydrochloride

About 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[3-(methylamino)propyl]piperidine-3-carboxamide;dihydrochloride

1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[3-(methylamino)propyl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 154895838) has the molecular formula C24H40Cl2N4O and a molecular weight of 471.52 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[3-(methylamino)propyl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name	1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[3-(methylamino)propyl]piperidine-3-carboxamide;dihydrochloride
PubChem CID	154895838
Molecular Formula	C24H40Cl2N4O
Molecular Weight	471.52 g/mol
Exact Mass	470.26
IUPAC Name	1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[3-(methylamino)propyl]piperidine-3-carboxamide;dihydrochloride
SMILES	CNCCCNC(=O)C1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1.Cl.Cl
InChI	InChI=1S/C24H38N4O.2ClH/c1-25-11-5-12-26-24(29)21-8-4-13-28(18-21)22-9-14-27(15-10-22)23-16-19-6-2-3-7-20(19)17-23;;/h2-3,6-7,21-23,25H,4-5,8-18H2,1H3,(H,26,29);2*1H
InChIKey	AWEZAURMRFPBAU-UHFFFAOYSA-N
XLogP	2.90
TPSA	47.61 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	7
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.52
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[3-(methylamino)propyl]piperidine-3-carboxamide;dihydrochloride?

The IUPAC name of 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[3-(methylamino)propyl]piperidine-3-carboxamide;dihydrochloride (CID 154895838) is 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[3-(methylamino)propyl]piperidine-3-carboxamide;dihydrochloride.

What is the SMILES notation for 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[3-(methylamino)propyl]piperidine-3-carboxamide;dihydrochloride?

The canonical SMILES for 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[3-(methylamino)propyl]piperidine-3-carboxamide;dihydrochloride is CNCCCNC(=O)C1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1.Cl.Cl.

What is the InChIKey of 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[3-(methylamino)propyl]piperidine-3-carboxamide;dihydrochloride?

The InChIKey is AWEZAURMRFPBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O.2ClH/c1-25-11-5-12-26-24(29)21-8-4-13-28(18-21)22-9-14-27(15-10-22)23-16-19-6-2-3-7-20(19)17-23;;/h2-3,6-7,21-23,25H,4-5,8-18H2,1H3,(H,26,29);2*1H.

What are the key properties of 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[3-(methylamino)propyl]piperidine-3-carboxamide;dihydrochloride?

1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[3-(methylamino)propyl]piperidine-3-carboxamide;dihydrochloride has a molecular weight of 471.52 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[3-(methylamino)propyl]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 154895838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).