[3-[4-[4-(3,5-dichloro-4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-5-yl] carbamate

C24H28Cl2N4O3 — CID 67617990

IUPAC[3-[4-[4-(3,5-dichloro-4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-5-yl] carbamate
SMILESCOc1c(Cl)cc(N2CCN(CCCCc3c[nH]c4ccc(OC(N)=O)cc34)CC2)cc1Cl
InChIInChI=1S/C24H28Cl2N4O3/c1-32-23-20(25)12-17(13-21(23)26)30-10-8-29(9-11-30)7-3-2-4-16-15-28-22-6-5-18(14-19(16)22)33-24(27)31/h5-6,12-15,28H,2-4,7-11H2,1H3,(H2,27,31)
InChIKeyWWQLLNVTYMGVBN-UHFFFAOYSA-N
MW491.42 g/mol
LogP5.09
Rot. Bonds8

About [3-[4-[4-(3,5-dichloro-4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-5-yl] carbamate

[3-[4-[4-(3,5-dichloro-4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-5-yl] carbamate (PubChem CID 67617990) has the molecular formula C24H28Cl2N4O3 and a molecular weight of 491.42 g/mol. Its IUPAC name is [3-[4-[4-(3,5-dichloro-4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-5-yl] carbamate.

Molecular Properties

Compound Name[3-[4-[4-(3,5-dichloro-4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-5-yl] carbamate
PubChem CID67617990
Molecular FormulaC24H28Cl2N4O3
Molecular Weight491.42 g/mol
Exact Mass490.15
IUPAC Name[3-[4-[4-(3,5-dichloro-4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-5-yl] carbamate
SMILESCOc1c(Cl)cc(N2CCN(CCCCc3c[nH]c4ccc(OC(N)=O)cc34)CC2)cc1Cl
InChIInChI=1S/C24H28Cl2N4O3/c1-32-23-20(25)12-17(13-21(23)26)30-10-8-29(9-11-30)7-3-2-4-16-15-28-22-6-5-18(14-19(16)22)33-24(27)31/h5-6,12-15,28H,2-4,7-11H2,1H3,(H2,27,31)
InChIKeyWWQLLNVTYMGVBN-UHFFFAOYSA-N
XLogP5.09
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.42
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [3-[4-[4-(3,5-dichloro-4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-5-yl] carbamate 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-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 19936429
3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-5-amine
CID 19936462
5-chloro-3-[4-[4-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]piperazin-1-yl]butyl]-1H-indole
CID 118499189
methyl 3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indole-5-carboxylate
CID 19936446
1-[4-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]pyridin-2-one
CID 118190841
3-[3-[4-[3-(5-bromo-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72735021
3-[3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72734844
3-[4-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1H-indole-5-carboxamide
CID 57302731
3-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-5-methoxy-1H-indole
CID 22364696
[3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indol-5-yl] hydrogen carbonate
CID 70412080
[3-[4-(3-benzylpiperidin-1-yl)butyl]-1H-indol-5-yl] hydrogen carbonate
CID 70064532
3-[4-[4-[4-[(3-chloro-2-pyridinyl)oxy]phenyl]piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 118499187

Frequently Asked Questions

What is the IUPAC name of [3-[4-[4-(3,5-dichloro-4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-5-yl] carbamate?
The IUPAC name of [3-[4-[4-(3,5-dichloro-4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-5-yl] carbamate (CID 67617990) is [3-[4-[4-(3,5-dichloro-4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-5-yl] carbamate.
What is the SMILES notation for [3-[4-[4-(3,5-dichloro-4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-5-yl] carbamate?
The canonical SMILES for [3-[4-[4-(3,5-dichloro-4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-5-yl] carbamate is COc1c(Cl)cc(N2CCN(CCCCc3c[nH]c4ccc(OC(N)=O)cc34)CC2)cc1Cl.
What is the InChIKey of [3-[4-[4-(3,5-dichloro-4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-5-yl] carbamate?
The InChIKey is WWQLLNVTYMGVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N4O3/c1-32-23-20(25)12-17(13-21(23)26)30-10-8-29(9-11-30)7-3-2-4-16-15-28-22-6-5-18(14-19(16)22)33-24(27)31/h5-6,12-15,28H,2-4,7-11H2,1H3,(H2,27,31).
What are the key properties of [3-[4-[4-(3,5-dichloro-4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-5-yl] carbamate?
[3-[4-[4-(3,5-dichloro-4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-5-yl] carbamate has a molecular weight of 491.42 g/mol, XLogP of 5.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[4-(3,5-dichloro-4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-5-yl] carbamate is sourced from PubChem (CID 67617990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).