1'-[(1-methylimidazol-2-yl)methyl]-1-phenyl-5-propan-2-ylspiro[indole-3,4'-piperidine]-2-one

C26H30N4O — CID 57385491

IUPAC1'-[(1-methylimidazol-2-yl)methyl]-1-phenyl-5-propan-2-ylspiro[indole-3,4'-piperidine]-2-one
SMILESCC(C)c1ccc2c(c1)C1(CCN(Cc3nccn3C)CC1)C(=O)N2c1ccccc1
InChIInChI=1S/C26H30N4O/c1-19(2)20-9-10-23-22(17-20)26(25(31)30(23)21-7-5-4-6-8-21)11-14-29(15-12-26)18-24-27-13-16-28(24)3/h4-10,13,16-17,19H,11-12,14-15,18H2,1-3H3
InChIKeyYGKZTXNWYZQRAY-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.76
Rot. Bonds4

About 1'-[(1-methylimidazol-2-yl)methyl]-1-phenyl-5-propan-2-ylspiro[indole-3,4'-piperidine]-2-one

1'-[(1-methylimidazol-2-yl)methyl]-1-phenyl-5-propan-2-ylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 57385491) has the molecular formula C26H30N4O and a molecular weight of 414.55 g/mol. Its IUPAC name is 1'-[(1-methylimidazol-2-yl)methyl]-1-phenyl-5-propan-2-ylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[(1-methylimidazol-2-yl)methyl]-1-phenyl-5-propan-2-ylspiro[indole-3,4'-piperidine]-2-one
PubChem CID57385491
Molecular FormulaC26H30N4O
Molecular Weight414.55 g/mol
Exact Mass414.24
IUPAC Name1'-[(1-methylimidazol-2-yl)methyl]-1-phenyl-5-propan-2-ylspiro[indole-3,4'-piperidine]-2-one
SMILESCC(C)c1ccc2c(c1)C1(CCN(Cc3nccn3C)CC1)C(=O)N2c1ccccc1
InChIInChI=1S/C26H30N4O/c1-19(2)20-9-10-23-22(17-20)26(25(31)30(23)21-7-5-4-6-8-21)11-14-29(15-12-26)18-24-27-13-16-28(24)3/h4-10,13,16-17,19H,11-12,14-15,18H2,1-3H3
InChIKeyYGKZTXNWYZQRAY-UHFFFAOYSA-N
XLogP4.76
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[(1-methylimidazol-2-yl)methyl]-1-phenyl-5-propan-2-ylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[(1-methylimidazol-2-yl)methyl]-1-phenyl-5-propan-2-ylspiro[indole-3,4'-piperidine]-2-one (CID 57385491) is 1'-[(1-methylimidazol-2-yl)methyl]-1-phenyl-5-propan-2-ylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[(1-methylimidazol-2-yl)methyl]-1-phenyl-5-propan-2-ylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[(1-methylimidazol-2-yl)methyl]-1-phenyl-5-propan-2-ylspiro[indole-3,4'-piperidine]-2-one is CC(C)c1ccc2c(c1)C1(CCN(Cc3nccn3C)CC1)C(=O)N2c1ccccc1.
What is the InChIKey of 1'-[(1-methylimidazol-2-yl)methyl]-1-phenyl-5-propan-2-ylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is YGKZTXNWYZQRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O/c1-19(2)20-9-10-23-22(17-20)26(25(31)30(23)21-7-5-4-6-8-21)11-14-29(15-12-26)18-24-27-13-16-28(24)3/h4-10,13,16-17,19H,11-12,14-15,18H2,1-3H3.
What are the key properties of 1'-[(1-methylimidazol-2-yl)methyl]-1-phenyl-5-propan-2-ylspiro[indole-3,4'-piperidine]-2-one?
1'-[(1-methylimidazol-2-yl)methyl]-1-phenyl-5-propan-2-ylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 414.55 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(1-methylimidazol-2-yl)methyl]-1-phenyl-5-propan-2-ylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 57385491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).