3-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline

C29H34N4O — CID 10226137

IUPAC3-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline
SMILESCN(C)c1cccc(Oc2ccccc2N2CCN(CCCc3c[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C29H34N4O/c1-31(2)24-10-7-11-25(21-24)34-29-15-6-5-14-28(29)33-19-17-32(18-20-33)16-8-9-23-22-30-27-13-4-3-12-26(23)27/h3-7,10-15,21-22,30H,8-9,16-20H2,1-2H3
InChIKeyVTKNDBXCWMSEIO-UHFFFAOYSA-N
MW454.62 g/mol
LogP5.78
Rot. Bonds8

About 3-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline

3-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline (PubChem CID 10226137) has the molecular formula C29H34N4O and a molecular weight of 454.62 g/mol. Its IUPAC name is 3-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline
PubChem CID10226137
Molecular FormulaC29H34N4O
Molecular Weight454.62 g/mol
Exact Mass454.27
IUPAC Name3-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline
SMILESCN(C)c1cccc(Oc2ccccc2N2CCN(CCCc3c[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C29H34N4O/c1-31(2)24-10-7-11-25(21-24)34-29-15-6-5-14-28(29)33-19-17-32(18-20-33)16-8-9-23-22-30-27-13-4-3-12-26(23)27/h3-7,10-15,21-22,30H,8-9,16-20H2,1-2H3
InChIKeyVTKNDBXCWMSEIO-UHFFFAOYSA-N
XLogP5.78
TPSA34.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.62
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline
CID 10298788
3-[4-[4-(2-phenoxyphenyl)piperazin-1-yl]butyl]-1H-indole
CID 10113204
3-[3-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 10276872
5-iodo-3-[3-[4-(2-phenoxyphenyl)piperazin-1-yl]propyl]-1H-indole
CID 10143502
6-chloro-3-[3-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 10164181
4-[3-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-2-methylphenyl]morpholine
CID 10295535
3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole
CID 177378521
5-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-1,2,3,4-tetrahydroquinoline;hydrochloride
CID 11567753
8-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-2,2-dimethyl-4H-1,4-benzoxazin-3-one
CID 11553516
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile;hydrochloride
CID 11464426
3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole
CID 19610450
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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline?
The IUPAC name of 3-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline (CID 10226137) is 3-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline.
What is the SMILES notation for 3-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline?
The canonical SMILES for 3-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline is CN(C)c1cccc(Oc2ccccc2N2CCN(CCCc3c[nH]c4ccccc34)CC2)c1.
What is the InChIKey of 3-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline?
The InChIKey is VTKNDBXCWMSEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O/c1-31(2)24-10-7-11-25(21-24)34-29-15-6-5-14-28(29)33-19-17-32(18-20-33)16-8-9-23-22-30-27-13-4-3-12-26(23)27/h3-7,10-15,21-22,30H,8-9,16-20H2,1-2H3.
What are the key properties of 3-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline?
3-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline has a molecular weight of 454.62 g/mol, XLogP of 5.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline is sourced from PubChem (CID 10226137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).