1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one

C22H29N3O — CID 67312056

IUPAC1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one
SMILESCc1ccc(N2CCN(CCCn3ccc4c3CCCC4=O)CC2)cc1
InChIInChI=1S/C22H29N3O/c1-18-6-8-19(9-7-18)24-16-14-23(15-17-24)11-3-12-25-13-10-20-21(25)4-2-5-22(20)26/h6-10,13H,2-5,11-12,14-17H2,1H3
InChIKeyBPXQAXSUBDXRCN-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.53
Rot. Bonds5

About 1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one

1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one (PubChem CID 67312056) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one
PubChem CID67312056
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one
SMILESCc1ccc(N2CCN(CCCn3ccc4c3CCCC4=O)CC2)cc1
InChIInChI=1S/C22H29N3O/c1-18-6-8-19(9-7-18)24-16-14-23(15-17-24)11-3-12-25-13-10-20-21(25)4-2-5-22(20)26/h6-10,13H,2-5,11-12,14-17H2,1H3
InChIKeyBPXQAXSUBDXRCN-UHFFFAOYSA-N
XLogP3.53
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one (CID 67312056) is 1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one is Cc1ccc(N2CCN(CCCn3ccc4c3CCCC4=O)CC2)cc1.
What is the InChIKey of 1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one?
The InChIKey is BPXQAXSUBDXRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-18-6-8-19(9-7-18)24-16-14-23(15-17-24)11-3-12-25-13-10-20-21(25)4-2-5-22(20)26/h6-10,13H,2-5,11-12,14-17H2,1H3.
What are the key properties of 1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one?
1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one has a molecular weight of 351.49 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 67312056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).