5-iodo-3-[3-[4-(2-phenoxyphenyl)piperazin-1-yl]propyl]-1H-indole

C27H28IN3O — CID 10143502

IUPAC5-iodo-3-[3-[4-(2-phenoxyphenyl)piperazin-1-yl]propyl]-1H-indole
SMILESIc1ccc2[nH]cc(CCCN3CCN(c4ccccc4Oc4ccccc4)CC3)c2c1
InChIInChI=1S/C27H28IN3O/c28-22-12-13-25-24(19-22)21(20-29-25)7-6-14-30-15-17-31(18-16-30)26-10-4-5-11-27(26)32-23-8-2-1-3-9-23/h1-5,8-13,19-20,29H,6-7,14-18H2
InChIKeyOINDAPWTNMMZPX-UHFFFAOYSA-N
MW537.45 g/mol
LogP6.32
Rot. Bonds7

About 5-iodo-3-[3-[4-(2-phenoxyphenyl)piperazin-1-yl]propyl]-1H-indole

5-iodo-3-[3-[4-(2-phenoxyphenyl)piperazin-1-yl]propyl]-1H-indole (PubChem CID 10143502) has the molecular formula C27H28IN3O and a molecular weight of 537.45 g/mol. Its IUPAC name is 5-iodo-3-[3-[4-(2-phenoxyphenyl)piperazin-1-yl]propyl]-1H-indole.

Molecular Properties

Compound Name5-iodo-3-[3-[4-(2-phenoxyphenyl)piperazin-1-yl]propyl]-1H-indole
PubChem CID10143502
Molecular FormulaC27H28IN3O
Molecular Weight537.45 g/mol
Exact Mass537.13
IUPAC Name5-iodo-3-[3-[4-(2-phenoxyphenyl)piperazin-1-yl]propyl]-1H-indole
SMILESIc1ccc2[nH]cc(CCCN3CCN(c4ccccc4Oc4ccccc4)CC3)c2c1
InChIInChI=1S/C27H28IN3O/c28-22-12-13-25-24(19-22)21(20-29-25)7-6-14-30-15-17-31(18-16-30)26-10-4-5-11-27(26)32-23-8-2-1-3-9-23/h1-5,8-13,19-20,29H,6-7,14-18H2
InChIKeyOINDAPWTNMMZPX-UHFFFAOYSA-N
XLogP6.32
TPSA31.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.45
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[4-(2-phenoxyphenyl)piperazin-1-yl]butyl]-1H-indole
CID 10113204
3-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline
CID 10226137
3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole
CID 177378521
3-[3-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 10276872
3-[2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline
CID 10298788
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile;hydrochloride
CID 11464426
6-chloro-3-[3-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 10164181
3-[3-[4-[2-(3,3a-dihydro-2H-furo[3,2-b]pyran-5-yloxy)phenyl]piperazin-1-yl]propyl]-5-methyl-1H-indole
CID 142655706
3-[4-(2-phenoxyphenyl)piperazin-1-yl]propan-1-amine
CID 21136388
3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 10293352
5-fluoro-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-indole
CID 90469348
3-[3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72734844

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-[3-[4-(2-phenoxyphenyl)piperazin-1-yl]propyl]-1H-indole?
The IUPAC name of 5-iodo-3-[3-[4-(2-phenoxyphenyl)piperazin-1-yl]propyl]-1H-indole (CID 10143502) is 5-iodo-3-[3-[4-(2-phenoxyphenyl)piperazin-1-yl]propyl]-1H-indole.
What is the SMILES notation for 5-iodo-3-[3-[4-(2-phenoxyphenyl)piperazin-1-yl]propyl]-1H-indole?
The canonical SMILES for 5-iodo-3-[3-[4-(2-phenoxyphenyl)piperazin-1-yl]propyl]-1H-indole is Ic1ccc2[nH]cc(CCCN3CCN(c4ccccc4Oc4ccccc4)CC3)c2c1.
What is the InChIKey of 5-iodo-3-[3-[4-(2-phenoxyphenyl)piperazin-1-yl]propyl]-1H-indole?
The InChIKey is OINDAPWTNMMZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28IN3O/c28-22-12-13-25-24(19-22)21(20-29-25)7-6-14-30-15-17-31(18-16-30)26-10-4-5-11-27(26)32-23-8-2-1-3-9-23/h1-5,8-13,19-20,29H,6-7,14-18H2.
What are the key properties of 5-iodo-3-[3-[4-(2-phenoxyphenyl)piperazin-1-yl]propyl]-1H-indole?
5-iodo-3-[3-[4-(2-phenoxyphenyl)piperazin-1-yl]propyl]-1H-indole has a molecular weight of 537.45 g/mol, XLogP of 6.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-[3-[4-(2-phenoxyphenyl)piperazin-1-yl]propyl]-1H-indole is sourced from PubChem (CID 10143502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).