1-[(1-benzylpiperidin-4-yl)methyl]-3-hydroxy-3-phenylindol-2-one

C27H28N2O2 — CID 155550824

IUPAC1-[(1-benzylpiperidin-4-yl)methyl]-3-hydroxy-3-phenylindol-2-one
SMILESO=C1N(CC2CCN(Cc3ccccc3)CC2)c2ccccc2C1(O)c1ccccc1
InChIInChI=1S/C27H28N2O2/c30-26-27(31,23-11-5-2-6-12-23)24-13-7-8-14-25(24)29(26)20-22-15-17-28(18-16-22)19-21-9-3-1-4-10-21/h1-14,22,31H,15-20H2
InChIKeyKMAVHHFYENQDNL-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.18
Rot. Bonds5

About 1-[(1-benzylpiperidin-4-yl)methyl]-3-hydroxy-3-phenylindol-2-one

1-[(1-benzylpiperidin-4-yl)methyl]-3-hydroxy-3-phenylindol-2-one (PubChem CID 155550824) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is 1-[(1-benzylpiperidin-4-yl)methyl]-3-hydroxy-3-phenylindol-2-one.

Molecular Properties

Compound Name1-[(1-benzylpiperidin-4-yl)methyl]-3-hydroxy-3-phenylindol-2-one
PubChem CID155550824
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC Name1-[(1-benzylpiperidin-4-yl)methyl]-3-hydroxy-3-phenylindol-2-one
SMILESO=C1N(CC2CCN(Cc3ccccc3)CC2)c2ccccc2C1(O)c1ccccc1
InChIInChI=1S/C27H28N2O2/c30-26-27(31,23-11-5-2-6-12-23)24-13-7-8-14-25(24)29(26)20-22-15-17-28(18-16-22)19-21-9-3-1-4-10-21/h1-14,22,31H,15-20H2
InChIKeyKMAVHHFYENQDNL-UHFFFAOYSA-N
XLogP4.18
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylpiperidin-4-yl)methyl]-3-hydroxy-3-phenylindol-2-one?
The IUPAC name of 1-[(1-benzylpiperidin-4-yl)methyl]-3-hydroxy-3-phenylindol-2-one (CID 155550824) is 1-[(1-benzylpiperidin-4-yl)methyl]-3-hydroxy-3-phenylindol-2-one.
What is the SMILES notation for 1-[(1-benzylpiperidin-4-yl)methyl]-3-hydroxy-3-phenylindol-2-one?
The canonical SMILES for 1-[(1-benzylpiperidin-4-yl)methyl]-3-hydroxy-3-phenylindol-2-one is O=C1N(CC2CCN(Cc3ccccc3)CC2)c2ccccc2C1(O)c1ccccc1.
What is the InChIKey of 1-[(1-benzylpiperidin-4-yl)methyl]-3-hydroxy-3-phenylindol-2-one?
The InChIKey is KMAVHHFYENQDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c30-26-27(31,23-11-5-2-6-12-23)24-13-7-8-14-25(24)29(26)20-22-15-17-28(18-16-22)19-21-9-3-1-4-10-21/h1-14,22,31H,15-20H2.
What are the key properties of 1-[(1-benzylpiperidin-4-yl)methyl]-3-hydroxy-3-phenylindol-2-one?
1-[(1-benzylpiperidin-4-yl)methyl]-3-hydroxy-3-phenylindol-2-one has a molecular weight of 412.53 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylpiperidin-4-yl)methyl]-3-hydroxy-3-phenylindol-2-one is sourced from PubChem (CID 155550824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).