3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one

C23H29N3O2 — CID 11545363

IUPAC3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one
SMILESCOc1cccc(N2CCN(CCCCC3C(=O)Nc4ccccc43)CC2)c1
InChIInChI=1S/C23H29N3O2/c1-28-19-8-6-7-18(17-19)26-15-13-25(14-16-26)12-5-4-10-21-20-9-2-3-11-22(20)24-23(21)27/h2-3,6-9,11,17,21H,4-5,10,12-16H2,1H3,(H,24,27)
InChIKeyKATJSKRLVCHNNS-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.72
Rot. Bonds7

About 3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one

3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one (PubChem CID 11545363) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one
PubChem CID11545363
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one
SMILESCOc1cccc(N2CCN(CCCCC3C(=O)Nc4ccccc43)CC2)c1
InChIInChI=1S/C23H29N3O2/c1-28-19-8-6-7-18(17-19)26-15-13-25(14-16-26)12-5-4-10-21-20-9-2-3-11-22(20)24-23(21)27/h2-3,6-9,11,17,21H,4-5,10,12-16H2,1H3,(H,24,27)
InChIKeyKATJSKRLVCHNNS-UHFFFAOYSA-N
XLogP3.72
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-Benzylamino-ethoxy)-1,3-dihydro-indol-2-one
CID 9903877
Ucm1014
CID 121231413
1-(4-(4-Phenyl-1-piperazinyl)butyl)indolin-2-one
CID 10667433
N-(3-Methoxy-phenyl)-4-(4-phenyl-piperazin-1-ylmethyl)-benzamide
CID 653541
4-[2-(4-Phenyl-butylamino)-ethoxy]-1,3-dihydro-indol-2-one
CID 10520031
4-[2-(Benzyl-methyl-amino)-ethoxy]-1,3-dihydro-indol-2-one
CID 10661630
N-[2-(N-benzyl-3-methoxyanilino)ethyl]acetamide
CID 24750069
3-(2,3-dihydro-1H-indol-1-yl)-4-(4-methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539522
2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-methoxyphenyl)acetamide
CID 46902957
2-[4-[4-(3-Methoxyphenyl)piperazin-1-yl]butyl]isoindole-1,3-dione
CID 164628184
N-[5-methoxy-2-oxo-1-(2-phenylethyl)-2,3-dihydro-1H-indol-3-yl]acetamide
CID 3159328
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 6464473

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one (CID 11545363) is 3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one is COc1cccc(N2CCN(CCCCC3C(=O)Nc4ccccc43)CC2)c1.
What is the InChIKey of 3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one?
The InChIKey is KATJSKRLVCHNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-28-19-8-6-7-18(17-19)26-15-13-25(14-16-26)12-5-4-10-21-20-9-2-3-11-22(20)24-23(21)27/h2-3,6-9,11,17,21H,4-5,10,12-16H2,1H3,(H,24,27).
What are the key properties of 3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one?
3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one has a molecular weight of 379.50 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 11545363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).