1-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-indol-4-one

C26H31N3O — CID 11361631

IUPAC1-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1ccn2CCCCN1CCN(c2cccc3ccccc23)CC1
InChIInChI=1S/C26H31N3O/c30-26-12-6-11-25-23(26)13-16-28(25)15-4-3-14-27-17-19-29(20-18-27)24-10-5-8-21-7-1-2-9-22(21)24/h1-2,5,7-10,13,16H,3-4,6,11-12,14-15,17-20H2
InChIKeyAIWAFYXWDVGHEV-UHFFFAOYSA-N
MW401.55 g/mol
LogP4.76
Rot. Bonds6

About 1-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-indol-4-one

1-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-indol-4-one (PubChem CID 11361631) has the molecular formula C26H31N3O and a molecular weight of 401.55 g/mol. Its IUPAC name is 1-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-indol-4-one
PubChem CID11361631
Molecular FormulaC26H31N3O
Molecular Weight401.55 g/mol
Exact Mass401.25
IUPAC Name1-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1ccn2CCCCN1CCN(c2cccc3ccccc23)CC1
InChIInChI=1S/C26H31N3O/c30-26-12-6-11-25-23(26)13-16-28(25)15-4-3-14-27-17-19-29(20-18-27)24-10-5-8-21-7-1-2-9-22(21)24/h1-2,5,7-10,13,16H,3-4,6,11-12,14-15,17-20H2
InChIKeyAIWAFYXWDVGHEV-UHFFFAOYSA-N
XLogP4.76
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]-6,7-dihydro-5H-indol-4-one
CID 67313523
1-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one
CID 67312804
1-[4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-indol-4-one
CID 66966905
1-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one;1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one;1-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one
CID 173099539
1-naphthalen-1-yl-4-pentylpiperazine
CID 20649330
1-[4-[4-(2,4-difluorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one
CID 87500274
1-(6-methylsulfanylhexyl)-6,7-dihydro-5H-indol-4-one
CID 114124699
2-methyl-3-[3-(4-naphthalen-1-ylpiperazin-1-yl)propylamino]naphthalene-1,4-dione
CID 130182218
3-[3-(4-naphthalen-1-ylpiperazin-1-yl)propyl]-1,2,3-benzotriazin-4-one
CID 24777372
N-[3-(4-oxo-6,7-dihydro-5H-indol-1-yl)propyl]methanesulfonamide
CID 114175400
N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-9-oxofluorene-2-carboxamide;hydrochloride
CID 19366294
3-(4-naphthalen-1-ylpiperazin-1-yl)propyl N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbamate
CID 23176306

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-indol-4-one (CID 11361631) is 1-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-indol-4-one is O=C1CCCc2c1ccn2CCCCN1CCN(c2cccc3ccccc23)CC1.
What is the InChIKey of 1-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-indol-4-one?
The InChIKey is AIWAFYXWDVGHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O/c30-26-12-6-11-25-23(26)13-16-28(25)15-4-3-14-27-17-19-29(20-18-27)24-10-5-8-21-7-1-2-9-22(21)24/h1-2,5,7-10,13,16H,3-4,6,11-12,14-15,17-20H2.
What are the key properties of 1-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-indol-4-one?
1-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-indol-4-one has a molecular weight of 401.55 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 11361631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).