1'-[(3-methyl-2-pyridinyl)methyl]-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-2-one

C31H29N3O — CID 57384999

IUPAC1'-[(3-methyl-2-pyridinyl)methyl]-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)c1ccccc12
InChIInChI=1S/C31H29N3O/c1-23-8-7-19-32-28(23)22-33-20-17-31(18-21-33)27-11-5-6-12-29(27)34(30(31)35)26-15-13-25(14-16-26)24-9-3-2-4-10-24/h2-16,19H,17-18,20-22H2,1H3
InChIKeyOENWMSHFDNZIBX-UHFFFAOYSA-N
MW459.59 g/mol
LogP6.27
Rot. Bonds4

About 1'-[(3-methyl-2-pyridinyl)methyl]-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-2-one

1'-[(3-methyl-2-pyridinyl)methyl]-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 57384999) has the molecular formula C31H29N3O and a molecular weight of 459.59 g/mol. Its IUPAC name is 1'-[(3-methyl-2-pyridinyl)methyl]-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[(3-methyl-2-pyridinyl)methyl]-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID57384999
Molecular FormulaC31H29N3O
Molecular Weight459.59 g/mol
Exact Mass459.23
IUPAC Name1'-[(3-methyl-2-pyridinyl)methyl]-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)c1ccccc12
InChIInChI=1S/C31H29N3O/c1-23-8-7-19-32-28(23)22-33-20-17-31(18-21-33)27-11-5-6-12-29(27)34(30(31)35)26-15-13-25(14-16-26)24-9-3-2-4-10-24/h2-16,19H,17-18,20-22H2,1H3
InChIKeyOENWMSHFDNZIBX-UHFFFAOYSA-N
XLogP6.27
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-[(3-methyl-2-pyridinyl)methyl]-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[(3-methyl-2-pyridinyl)methyl]-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-2-one (CID 57384999) is 1'-[(3-methyl-2-pyridinyl)methyl]-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[(3-methyl-2-pyridinyl)methyl]-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[(3-methyl-2-pyridinyl)methyl]-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-2-one is Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)c1ccccc12.
What is the InChIKey of 1'-[(3-methyl-2-pyridinyl)methyl]-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is OENWMSHFDNZIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N3O/c1-23-8-7-19-32-28(23)22-33-20-17-31(18-21-33)27-11-5-6-12-29(27)34(30(31)35)26-15-13-25(14-16-26)24-9-3-2-4-10-24/h2-16,19H,17-18,20-22H2,1H3.
What are the key properties of 1'-[(3-methyl-2-pyridinyl)methyl]-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-2-one?
1'-[(3-methyl-2-pyridinyl)methyl]-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 459.59 g/mol, XLogP of 6.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(3-methyl-2-pyridinyl)methyl]-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 57384999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).