4-[4-[[4-(oxan-2-yloxy)phenyl]methyl]piperazin-1-yl]-1H-indole

C24H29N3O2 — CID 44625124

IUPAC4-[4-[[4-(oxan-2-yloxy)phenyl]methyl]piperazin-1-yl]-1H-indole
SMILESc1cc(N2CCN(Cc3ccc(OC4CCCCO4)cc3)CC2)c2cc[nH]c2c1
InChIInChI=1S/C24H29N3O2/c1-2-17-28-24(6-1)29-20-9-7-19(8-10-20)18-26-13-15-27(16-14-26)23-5-3-4-22-21(23)11-12-25-22/h3-5,7-12,24-25H,1-2,6,13-18H2
InChIKeyJVVYWBVFKGHYLG-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.40
Rot. Bonds5

About 4-[4-[[4-(oxan-2-yloxy)phenyl]methyl]piperazin-1-yl]-1H-indole

4-[4-[[4-(oxan-2-yloxy)phenyl]methyl]piperazin-1-yl]-1H-indole (PubChem CID 44625124) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 4-[4-[[4-(oxan-2-yloxy)phenyl]methyl]piperazin-1-yl]-1H-indole.

Molecular Properties

Compound Name4-[4-[[4-(oxan-2-yloxy)phenyl]methyl]piperazin-1-yl]-1H-indole
PubChem CID44625124
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name4-[4-[[4-(oxan-2-yloxy)phenyl]methyl]piperazin-1-yl]-1H-indole
SMILESc1cc(N2CCN(Cc3ccc(OC4CCCCO4)cc3)CC2)c2cc[nH]c2c1
InChIInChI=1S/C24H29N3O2/c1-2-17-28-24(6-1)29-20-9-7-19(8-10-20)18-26-13-15-27(16-14-26)23-5-3-4-22-21(23)11-12-25-22/h3-5,7-12,24-25H,1-2,6,13-18H2
InChIKeyJVVYWBVFKGHYLG-UHFFFAOYSA-N
XLogP4.40
TPSA40.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-[[4-(oxan-2-yloxy)phenyl]methyl]piperazin-1-yl]-1H-indole 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

hydroxy-[3-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]phenyl]azanium
CID 143933193
4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1H-indole;dihydrochloride
CID 2729522
[4-(oxan-2-yloxy)phenyl]methanethiol
CID 11264585
N-(cyclohexanecarbonyl)-N-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethyl]cyclohexanecarboxamide;dihydrochloride
CID 70123294
2-[4-(oxan-2-yloxymethyl)phenoxy]oxane
CID 101362561
2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-3-iodo-6-methoxy-1H-indole
CID 139991044
CID 168763543
CID 168763543
2-[4-(1H-indol-4-yl)piperazin-1-yl]-1-phenylethanamine
CID 18993057
2-[4-(nitrosomethyl)phenoxy]oxane
CID 91171401
N-methyl-1-[4-(oxan-2-yloxy)phenyl]methanamine
CID 171418961
4-[4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride
CID 169091655
cyclohexyl-[2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-2,3-dihydroindol-1-yl]methanone
CID 10181887

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-(oxan-2-yloxy)phenyl]methyl]piperazin-1-yl]-1H-indole?
The IUPAC name of 4-[4-[[4-(oxan-2-yloxy)phenyl]methyl]piperazin-1-yl]-1H-indole (CID 44625124) is 4-[4-[[4-(oxan-2-yloxy)phenyl]methyl]piperazin-1-yl]-1H-indole.
What is the SMILES notation for 4-[4-[[4-(oxan-2-yloxy)phenyl]methyl]piperazin-1-yl]-1H-indole?
The canonical SMILES for 4-[4-[[4-(oxan-2-yloxy)phenyl]methyl]piperazin-1-yl]-1H-indole is c1cc(N2CCN(Cc3ccc(OC4CCCCO4)cc3)CC2)c2cc[nH]c2c1.
What is the InChIKey of 4-[4-[[4-(oxan-2-yloxy)phenyl]methyl]piperazin-1-yl]-1H-indole?
The InChIKey is JVVYWBVFKGHYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-2-17-28-24(6-1)29-20-9-7-19(8-10-20)18-26-13-15-27(16-14-26)23-5-3-4-22-21(23)11-12-25-22/h3-5,7-12,24-25H,1-2,6,13-18H2.
What are the key properties of 4-[4-[[4-(oxan-2-yloxy)phenyl]methyl]piperazin-1-yl]-1H-indole?
4-[4-[[4-(oxan-2-yloxy)phenyl]methyl]piperazin-1-yl]-1H-indole has a molecular weight of 391.52 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-(oxan-2-yloxy)phenyl]methyl]piperazin-1-yl]-1H-indole is sourced from PubChem (CID 44625124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).