[4-(1-propylindol-3-yl)piperidin-1-yl]-(2,4,6-trichlorophenyl)methanone

C23H23Cl3N2O — CID 46090085

IUPAC[4-(1-propylindol-3-yl)piperidin-1-yl]-(2,4,6-trichlorophenyl)methanone
SMILESCCCn1cc(C2CCN(C(=O)c3c(Cl)cc(Cl)cc3Cl)CC2)c2ccccc21
InChIInChI=1S/C23H23Cl3N2O/c1-2-9-28-14-18(17-5-3-4-6-21(17)28)15-7-10-27(11-8-15)23(29)22-19(25)12-16(24)13-20(22)26/h3-6,12-15H,2,7-11H2,1H3
InChIKeyAJJWIVWWNMWDMX-UHFFFAOYSA-N
MW449.81 g/mol
LogP7.03
Rot. Bonds4

About [4-(1-propylindol-3-yl)piperidin-1-yl]-(2,4,6-trichlorophenyl)methanone

[4-(1-propylindol-3-yl)piperidin-1-yl]-(2,4,6-trichlorophenyl)methanone (PubChem CID 46090085) has the molecular formula C23H23Cl3N2O and a molecular weight of 449.81 g/mol. Its IUPAC name is [4-(1-propylindol-3-yl)piperidin-1-yl]-(2,4,6-trichlorophenyl)methanone.

Molecular Properties

Compound Name[4-(1-propylindol-3-yl)piperidin-1-yl]-(2,4,6-trichlorophenyl)methanone
PubChem CID46090085
Molecular FormulaC23H23Cl3N2O
Molecular Weight449.81 g/mol
Exact Mass448.09
IUPAC Name[4-(1-propylindol-3-yl)piperidin-1-yl]-(2,4,6-trichlorophenyl)methanone
SMILESCCCn1cc(C2CCN(C(=O)c3c(Cl)cc(Cl)cc3Cl)CC2)c2ccccc21
InChIInChI=1S/C23H23Cl3N2O/c1-2-9-28-14-18(17-5-3-4-6-21(17)28)15-7-10-27(11-8-15)23(29)22-19(25)12-16(24)13-20(22)26/h3-6,12-15H,2,7-11H2,1H3
InChIKeyAJJWIVWWNMWDMX-UHFFFAOYSA-N
XLogP7.03
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.81
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-(1-propylindol-3-yl)piperidin-1-yl]-(2,4,6-trichlorophenyl)methanone 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

4-(1-propylindol-3-yl)cyclohexane-1-carboxamide
CID 84613190
N-(2-aminoethyl)-4-(1-propylindol-3-yl)cyclohexane-1-carboxamide
CID 84613189
ethyl 4-[1-(2-pyridin-2-ylethyl)indol-3-yl]piperidine-1-carboxylate
CID 69415426
3-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1-(2-ethoxyethyl)indole
CID 46090001
furan-2-yl-[4-(1-methylindol-3-yl)piperidin-1-yl]methanone
CID 113087188
ethyl 4-[1-[(5-chlorothiophen-2-yl)methyl]indol-3-yl]piperidine-1-carboxylate
CID 11327120
1-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 24720536
[3,5-bis(trifluoromethyl)phenyl]-[4-(1-methylindol-3-yl)piperidin-1-yl]methanone
CID 46103714
[4-(1-benzylindol-3-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 25066524
N-cyclopropyl-4-(1-methylindol-3-yl)piperidine-1-carboxamide
CID 113087241
(2,3-dimethylphenyl)-[3-(1-ethylindol-3-yl)pyrrolidin-1-yl]methanone
CID 11695927
[4-[1-[(4-fluorophenyl)methyl]indol-3-yl]piperidin-1-yl]-[3-(methyliminomethyl)phenyl]methanone
CID 135268146

Frequently Asked Questions

What is the IUPAC name of [4-(1-propylindol-3-yl)piperidin-1-yl]-(2,4,6-trichlorophenyl)methanone?
The IUPAC name of [4-(1-propylindol-3-yl)piperidin-1-yl]-(2,4,6-trichlorophenyl)methanone (CID 46090085) is [4-(1-propylindol-3-yl)piperidin-1-yl]-(2,4,6-trichlorophenyl)methanone.
What is the SMILES notation for [4-(1-propylindol-3-yl)piperidin-1-yl]-(2,4,6-trichlorophenyl)methanone?
The canonical SMILES for [4-(1-propylindol-3-yl)piperidin-1-yl]-(2,4,6-trichlorophenyl)methanone is CCCn1cc(C2CCN(C(=O)c3c(Cl)cc(Cl)cc3Cl)CC2)c2ccccc21.
What is the InChIKey of [4-(1-propylindol-3-yl)piperidin-1-yl]-(2,4,6-trichlorophenyl)methanone?
The InChIKey is AJJWIVWWNMWDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl3N2O/c1-2-9-28-14-18(17-5-3-4-6-21(17)28)15-7-10-27(11-8-15)23(29)22-19(25)12-16(24)13-20(22)26/h3-6,12-15H,2,7-11H2,1H3.
What are the key properties of [4-(1-propylindol-3-yl)piperidin-1-yl]-(2,4,6-trichlorophenyl)methanone?
[4-(1-propylindol-3-yl)piperidin-1-yl]-(2,4,6-trichlorophenyl)methanone has a molecular weight of 449.81 g/mol, XLogP of 7.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-propylindol-3-yl)piperidin-1-yl]-(2,4,6-trichlorophenyl)methanone is sourced from PubChem (CID 46090085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).