1-[[3-[(4-naphthalen-1-ylpiperazin-1-yl)methyl]phenyl]methyl]-3H-indol-2-one

C30H29N3O — CID 42625186

IUPAC1-[[3-[(4-naphthalen-1-ylpiperazin-1-yl)methyl]phenyl]methyl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1Cc1cccc(CN2CCN(c3cccc4ccccc34)CC2)c1
InChIInChI=1S/C30H29N3O/c34-30-20-26-10-2-4-13-28(26)33(30)22-24-8-5-7-23(19-24)21-31-15-17-32(18-16-31)29-14-6-11-25-9-1-3-12-27(25)29/h1-14,19H,15-18,20-22H2
InChIKeyXNXNUDBDHIHMLW-UHFFFAOYSA-N
MW447.58 g/mol
LogP5.25
Rot. Bonds5

About 1-[[3-[(4-naphthalen-1-ylpiperazin-1-yl)methyl]phenyl]methyl]-3H-indol-2-one

1-[[3-[(4-naphthalen-1-ylpiperazin-1-yl)methyl]phenyl]methyl]-3H-indol-2-one (PubChem CID 42625186) has the molecular formula C30H29N3O and a molecular weight of 447.58 g/mol. Its IUPAC name is 1-[[3-[(4-naphthalen-1-ylpiperazin-1-yl)methyl]phenyl]methyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[[3-[(4-naphthalen-1-ylpiperazin-1-yl)methyl]phenyl]methyl]-3H-indol-2-one
PubChem CID42625186
Molecular FormulaC30H29N3O
Molecular Weight447.58 g/mol
Exact Mass447.23
IUPAC Name1-[[3-[(4-naphthalen-1-ylpiperazin-1-yl)methyl]phenyl]methyl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1Cc1cccc(CN2CCN(c3cccc4ccccc34)CC2)c1
InChIInChI=1S/C30H29N3O/c34-30-20-26-10-2-4-13-28(26)33(30)22-24-8-5-7-23(19-24)21-31-15-17-32(18-16-31)29-14-6-11-25-9-1-3-12-27(25)29/h1-14,19H,15-18,20-22H2
InChIKeyXNXNUDBDHIHMLW-UHFFFAOYSA-N
XLogP5.25
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(4-naphthalen-1-ylpiperazin-1-yl)methyl]phenyl]methyl]-3H-indol-2-one?
The IUPAC name of 1-[[3-[(4-naphthalen-1-ylpiperazin-1-yl)methyl]phenyl]methyl]-3H-indol-2-one (CID 42625186) is 1-[[3-[(4-naphthalen-1-ylpiperazin-1-yl)methyl]phenyl]methyl]-3H-indol-2-one.
What is the SMILES notation for 1-[[3-[(4-naphthalen-1-ylpiperazin-1-yl)methyl]phenyl]methyl]-3H-indol-2-one?
The canonical SMILES for 1-[[3-[(4-naphthalen-1-ylpiperazin-1-yl)methyl]phenyl]methyl]-3H-indol-2-one is O=C1Cc2ccccc2N1Cc1cccc(CN2CCN(c3cccc4ccccc34)CC2)c1.
What is the InChIKey of 1-[[3-[(4-naphthalen-1-ylpiperazin-1-yl)methyl]phenyl]methyl]-3H-indol-2-one?
The InChIKey is XNXNUDBDHIHMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O/c34-30-20-26-10-2-4-13-28(26)33(30)22-24-8-5-7-23(19-24)21-31-15-17-32(18-16-31)29-14-6-11-25-9-1-3-12-27(25)29/h1-14,19H,15-18,20-22H2.
What are the key properties of 1-[[3-[(4-naphthalen-1-ylpiperazin-1-yl)methyl]phenyl]methyl]-3H-indol-2-one?
1-[[3-[(4-naphthalen-1-ylpiperazin-1-yl)methyl]phenyl]methyl]-3H-indol-2-one has a molecular weight of 447.58 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(4-naphthalen-1-ylpiperazin-1-yl)methyl]phenyl]methyl]-3H-indol-2-one is sourced from PubChem (CID 42625186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).