1-[1-[1,3-bis[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-2-one

C36H41Cl2N3O3 — CID 90703928

IUPAC1-[1-[1,3-bis[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-2-one
SMILESCC(=O)Cc1cn(C(CCN2CCC(Oc3ccccc3Cl)CC2)N2CCC(Oc3ccccc3Cl)CC2)c2ccccc12
InChIInChI=1S/C36H41Cl2N3O3/c1-26(42)24-27-25-41(33-11-5-2-8-30(27)33)36(40-22-16-29(17-23-40)44-35-13-7-4-10-32(35)38)18-21-39-19-14-28(15-20-39)43-34-12-6-3-9-31(34)37/h2-13,25,28-29,36H,14-24H2,1H3
InChIKeyNWQGHUMFKNVQCP-UHFFFAOYSA-N
MW634.65 g/mol
LogP8.06
Rot. Bonds11

About 1-[1-[1,3-bis[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-2-one

1-[1-[1,3-bis[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-2-one (PubChem CID 90703928) has the molecular formula C36H41Cl2N3O3 and a molecular weight of 634.65 g/mol. Its IUPAC name is 1-[1-[1,3-bis[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-[1,3-bis[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-2-one
PubChem CID90703928
Molecular FormulaC36H41Cl2N3O3
Molecular Weight634.65 g/mol
Exact Mass633.25
IUPAC Name1-[1-[1,3-bis[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-2-one
SMILESCC(=O)Cc1cn(C(CCN2CCC(Oc3ccccc3Cl)CC2)N2CCC(Oc3ccccc3Cl)CC2)c2ccccc12
InChIInChI=1S/C36H41Cl2N3O3/c1-26(42)24-27-25-41(33-11-5-2-8-30(27)33)36(40-22-16-29(17-23-40)44-35-13-7-4-10-32(35)38)18-21-39-19-14-28(15-20-39)43-34-12-6-3-9-31(34)37/h2-13,25,28-29,36H,14-24H2,1H3
InChIKeyNWQGHUMFKNVQCP-UHFFFAOYSA-N
XLogP8.06
TPSA46.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.65
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[1-[1,3-bis[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-2-one 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

1-[1-[3-[4-(2-Chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone
CID 23641730
1-[1-[3-[4-(2-Chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone
CID 159342762
1-[1-[3-[4-(2-Chlorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone;2,2,2-trifluoro-1-[1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone
CID 160482431
(5Z)-5-({1-[3-(2-chlorophenoxy)propyl]-1H-indol-3-yl}methylidene)-1-(4-fluorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 1868228
[1-[3-(2-Chlorophenoxy)propyl]indol-3-yl]-(2-fluorophenyl)methanone
CID 3642878
5-[[1-[3-(2-Chlorophenoxy)propyl]indol-3-yl]methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
CID 5159054
(5E)-5-[[1-[3-(2-chlorophenoxy)propyl]indol-3-yl]methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
CID 6287224
1-(4-(2-fluorophenoxy)-[1,4'-bipiperidin]-1'-yl)-2-(1-methyl-1H-indol-3-yl)ethan-1-one
CID 134161903
1-{1-[3-(2-chlorophenoxy)propyl]-1H-indol-3-yl}ethanone
CID 2200459
[3-Chloro-4-[3-(dipropylamino)propoxy]phenyl]-(2-phenylindolizin-3-yl)methanone
CID 13029490
1-[1-[3-[4-(2-Chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone
CID 23641448
1-[1-[3-[4-(2-Chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one
CID 23641504

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1,3-bis[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-2-one?
The IUPAC name of 1-[1-[1,3-bis[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-2-one (CID 90703928) is 1-[1-[1,3-bis[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-2-one.
What is the SMILES notation for 1-[1-[1,3-bis[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-2-one?
The canonical SMILES for 1-[1-[1,3-bis[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-2-one is CC(=O)Cc1cn(C(CCN2CCC(Oc3ccccc3Cl)CC2)N2CCC(Oc3ccccc3Cl)CC2)c2ccccc12.
What is the InChIKey of 1-[1-[1,3-bis[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-2-one?
The InChIKey is NWQGHUMFKNVQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41Cl2N3O3/c1-26(42)24-27-25-41(33-11-5-2-8-30(27)33)36(40-22-16-29(17-23-40)44-35-13-7-4-10-32(35)38)18-21-39-19-14-28(15-20-39)43-34-12-6-3-9-31(34)37/h2-13,25,28-29,36H,14-24H2,1H3.
What are the key properties of 1-[1-[1,3-bis[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-2-one?
1-[1-[1,3-bis[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-2-one has a molecular weight of 634.65 g/mol, XLogP of 8.06, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1,3-bis[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-2-one is sourced from PubChem (CID 90703928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).