[4-[2-methyl-4-(1-methylpiperidin-2-yl)phenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone;hydrochloride

C35H42ClN3O2 — CID 44533193

About [4-[2-methyl-4-(1-methylpiperidin-2-yl)phenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone;hydrochloride

[4-[2-methyl-4-(1-methylpiperidin-2-yl)phenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone;hydrochloride (PubChem CID 44533193) has the molecular formula C35H42ClN3O2 and a molecular weight of 572.19 g/mol. Its IUPAC name is [4-[2-methyl-4-(1-methylpiperidin-2-yl)phenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone;hydrochloride.

Molecular Properties

• Compound Name: [4-[2-methyl-4-(1-methylpiperidin-2-yl)phenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone;hydrochloride
• PubChem CID: 44533193
• Molecular Formula: C35H42ClN3O2
• Molecular Weight: 572.19 g/mol
• Exact Mass: 571.30
• IUPAC Name: [4-[2-methyl-4-(1-methylpiperidin-2-yl)phenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone;hydrochloride
• SMILES: Cc1cc(C2CCCCN2C)ccc1-c1ccc(C(=O)N2CCc3cc4c(cc32)C2(CCN(C)CC2)CO4)cc1.Cl
• InChI: InChI=1S/C35H41N3O2.ClH/c1-24-20-27(31-6-4-5-16-37(31)3)11-12-29(24)25-7-9-26(10-8-25)34(39)38-17-13-28-21-33-30(22-32(28)38)35(23-40-33)14-18-36(2)19-15-35;/h7-12,20-22,31H,4-6,13-19,23H2,1-3H3;1H
• InChIKey: ABRAYKJSNXSJSJ-UHFFFAOYSA-N
• XLogP: 6.80
• TPSA: 36.02 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.19
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [4-[2-methyl-4-(1-methylpiperidin-2-yl)phenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone;hydrochloride?

The IUPAC name of [4-[2-methyl-4-(1-methylpiperidin-2-yl)phenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone;hydrochloride (CID 44533193) is [4-[2-methyl-4-(1-methylpiperidin-2-yl)phenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone;hydrochloride.

What is the SMILES notation for [4-[2-methyl-4-(1-methylpiperidin-2-yl)phenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone;hydrochloride?

The canonical SMILES for [4-[2-methyl-4-(1-methylpiperidin-2-yl)phenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone;hydrochloride is Cc1cc(C2CCCCN2C)ccc1-c1ccc(C(=O)N2CCc3cc4c(cc32)C2(CCN(C)CC2)CO4)cc1.Cl.

What is the InChIKey of [4-[2-methyl-4-(1-methylpiperidin-2-yl)phenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone;hydrochloride?

The InChIKey is ABRAYKJSNXSJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N3O2.ClH/c1-24-20-27(31-6-4-5-16-37(31)3)11-12-29(24)25-7-9-26(10-8-25)34(39)38-17-13-28-21-33-30(22-32(28)38)35(23-40-33)14-18-36(2)19-15-35;/h7-12,20-22,31H,4-6,13-19,23H2,1-3H3;1H.

What are the key properties of [4-[2-methyl-4-(1-methylpiperidin-2-yl)phenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone;hydrochloride?

[4-[2-methyl-4-(1-methylpiperidin-2-yl)phenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone;hydrochloride has a molecular weight of 572.19 g/mol, XLogP of 6.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-methyl-4-(1-methylpiperidin-2-yl)phenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone;hydrochloride is sourced from PubChem (CID 44533193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).