ethane;[5-[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea

C24H34N4O2 — CID 153403891

About ethane;[5-[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea

ethane;[5-[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea (PubChem CID 153403891) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is ethane;[5-[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea.

Molecular Properties

• Compound Name: ethane;[5-[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea
• PubChem CID: 153403891
• Molecular Formula: C24H34N4O2
• Molecular Weight: 410.56 g/mol
• Exact Mass: 410.27
• IUPAC Name: ethane;[5-[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea
• SMILES: CC.CN1CCC(COc2cc(-c3ccc4c(c3NC(N)=O)CCC4)ccn2)CC1
• InChI: InChI=1S/C22H28N4O2.C2H6/c1-26-11-8-15(9-12-26)14-28-20-13-17(7-10-24-20)19-6-5-16-3-2-4-18(16)21(19)25-22(23)27;1-2/h5-7,10,13,15H,2-4,8-9,11-12,14H2,1H3,(H3,23,25,27);1-2H3
• InChIKey: GWQNRSHVUIPWDI-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 80.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.56
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of ethane;[5-[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea?

The IUPAC name of ethane;[5-[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea (CID 153403891) is ethane;[5-[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea.

What is the SMILES notation for ethane;[5-[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea?

The canonical SMILES for ethane;[5-[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea is CC.CN1CCC(COc2cc(-c3ccc4c(c3NC(N)=O)CCC4)ccn2)CC1.

What is the InChIKey of ethane;[5-[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea?

The InChIKey is GWQNRSHVUIPWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2.C2H6/c1-26-11-8-15(9-12-26)14-28-20-13-17(7-10-24-20)19-6-5-16-3-2-4-18(16)21(19)25-22(23)27;1-2/h5-7,10,13,15H,2-4,8-9,11-12,14H2,1H3,(H3,23,25,27);1-2H3.

What are the key properties of ethane;[5-[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea?

ethane;[5-[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea has a molecular weight of 410.56 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;[5-[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea is sourced from PubChem (CID 153403891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).