2-[(2-fluorophenyl)methyl]-7-methoxy-N,N-dimethyl-1'-(2-methylbutanoyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1-carboxamide

C31H39FN4O3 — CID 142475524

About 2-[(2-fluorophenyl)methyl]-7-methoxy-N,N-dimethyl-1'-(2-methylbutanoyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1-carboxamide

2-[(2-fluorophenyl)methyl]-7-methoxy-N,N-dimethyl-1'-(2-methylbutanoyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1-carboxamide (PubChem CID 142475524) has the molecular formula C31H39FN4O3 and a molecular weight of 534.68 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-7-methoxy-N,N-dimethyl-1'-(2-methylbutanoyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1-carboxamide.

Molecular Properties

• Compound Name: 2-[(2-fluorophenyl)methyl]-7-methoxy-N,N-dimethyl-1'-(2-methylbutanoyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1-carboxamide
• PubChem CID: 142475524
• Molecular Formula: C31H39FN4O3
• Molecular Weight: 534.68 g/mol
• Exact Mass: 534.30
• IUPAC Name: 2-[(2-fluorophenyl)methyl]-7-methoxy-N,N-dimethyl-1'-(2-methylbutanoyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1-carboxamide
• SMILES: CCC(C)C(=O)N1CCC2(CC1)CN(Cc1ccccc1F)C(C(=O)N(C)C)c1[nH]c3cc(OC)ccc3c12
• InChI: InChI=1S/C31H39FN4O3/c1-6-20(2)29(37)35-15-13-31(14-16-35)19-36(18-21-9-7-8-10-24(21)32)28(30(38)34(3)4)27-26(31)23-12-11-22(39-5)17-25(23)33-27/h7-12,17,20,28,33H,6,13-16,18-19H2,1-5H3
• InChIKey: NUVMIWGONQDYJZ-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 68.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.68
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-7-methoxy-N,N-dimethyl-1'-(2-methylbutanoyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1-carboxamide?

The IUPAC name of 2-[(2-fluorophenyl)methyl]-7-methoxy-N,N-dimethyl-1'-(2-methylbutanoyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1-carboxamide (CID 142475524) is 2-[(2-fluorophenyl)methyl]-7-methoxy-N,N-dimethyl-1'-(2-methylbutanoyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1-carboxamide.

What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-7-methoxy-N,N-dimethyl-1'-(2-methylbutanoyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1-carboxamide?

The canonical SMILES for 2-[(2-fluorophenyl)methyl]-7-methoxy-N,N-dimethyl-1'-(2-methylbutanoyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1-carboxamide is CCC(C)C(=O)N1CCC2(CC1)CN(Cc1ccccc1F)C(C(=O)N(C)C)c1[nH]c3cc(OC)ccc3c12.

What is the InChIKey of 2-[(2-fluorophenyl)methyl]-7-methoxy-N,N-dimethyl-1'-(2-methylbutanoyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1-carboxamide?

The InChIKey is NUVMIWGONQDYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39FN4O3/c1-6-20(2)29(37)35-15-13-31(14-16-35)19-36(18-21-9-7-8-10-24(21)32)28(30(38)34(3)4)27-26(31)23-12-11-22(39-5)17-25(23)33-27/h7-12,17,20,28,33H,6,13-16,18-19H2,1-5H3.

What are the key properties of 2-[(2-fluorophenyl)methyl]-7-methoxy-N,N-dimethyl-1'-(2-methylbutanoyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1-carboxamide?

2-[(2-fluorophenyl)methyl]-7-methoxy-N,N-dimethyl-1'-(2-methylbutanoyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1-carboxamide has a molecular weight of 534.68 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-fluorophenyl)methyl]-7-methoxy-N,N-dimethyl-1'-(2-methylbutanoyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 142475524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).