[4-(4-chlorophenyl)piperazin-1-yl]-(1-ethyl-2,3-dimethylindol-5-yl)methanone

C23H26ClN3O — CID 95754456

IUPAC[4-(4-chlorophenyl)piperazin-1-yl]-(1-ethyl-2,3-dimethylindol-5-yl)methanone
SMILESCCn1c(C)c(C)c2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc21
InChIInChI=1S/C23H26ClN3O/c1-4-27-17(3)16(2)21-15-18(5-10-22(21)27)23(28)26-13-11-25(12-14-26)20-8-6-19(24)7-9-20/h5-10,15H,4,11-14H2,1-3H3
InChIKeyFUCGDLBCNWSJGX-UHFFFAOYSA-N
MW395.93 g/mol
LogP4.89
Rot. Bonds3

About [4-(4-chlorophenyl)piperazin-1-yl]-(1-ethyl-2,3-dimethylindol-5-yl)methanone

[4-(4-chlorophenyl)piperazin-1-yl]-(1-ethyl-2,3-dimethylindol-5-yl)methanone (PubChem CID 95754456) has the molecular formula C23H26ClN3O and a molecular weight of 395.93 g/mol. Its IUPAC name is [4-(4-chlorophenyl)piperazin-1-yl]-(1-ethyl-2,3-dimethylindol-5-yl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)piperazin-1-yl]-(1-ethyl-2,3-dimethylindol-5-yl)methanone
PubChem CID95754456
Molecular FormulaC23H26ClN3O
Molecular Weight395.93 g/mol
Exact Mass395.18
IUPAC Name[4-(4-chlorophenyl)piperazin-1-yl]-(1-ethyl-2,3-dimethylindol-5-yl)methanone
SMILESCCn1c(C)c(C)c2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc21
InChIInChI=1S/C23H26ClN3O/c1-4-27-17(3)16(2)21-15-18(5-10-22(21)27)23(28)26-13-11-25(12-14-26)20-8-6-19(24)7-9-20/h5-10,15H,4,11-14H2,1-3H3
InChIKeyFUCGDLBCNWSJGX-UHFFFAOYSA-N
XLogP4.89
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(1-ethyl-2,3-dimethylindol-5-yl)-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone
CID 95749738
[(3R)-3-[(dimethylamino)methyl]piperidin-1-yl]-(1-ethyl-2,3-dimethylindol-5-yl)methanone
CID 51594671
[4-(1-benzyl-2,3-dimethylindole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074923
1-(1-ethyl-2,3-dimethylindole-5-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91953916
(1-benzyl-2,3-dimethylindol-5-yl)-(4-benzylpiperazin-1-yl)methanone
CID 1040631
N-(5-chloro-2-pyridinyl)-1-ethyl-2,3-dimethylindole-5-carboxamide
CID 35333872
[1-[(4-fluorophenyl)methyl]-2,3-dimethylindol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 20940239
[4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 2169854
[1-[4-(4-chlorophenyl)piperazin-1-yl]isoquinolin-7-yl]-(4-propylpiperazin-1-yl)methanone
CID 53102305
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-ethylthieno[3,2-c]quinolin-4-one
CID 20865373
[4-(4-chlorophenyl)piperazin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone
CID 55970681

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-(1-ethyl-2,3-dimethylindol-5-yl)methanone?
The IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-(1-ethyl-2,3-dimethylindol-5-yl)methanone (CID 95754456) is [4-(4-chlorophenyl)piperazin-1-yl]-(1-ethyl-2,3-dimethylindol-5-yl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)piperazin-1-yl]-(1-ethyl-2,3-dimethylindol-5-yl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)piperazin-1-yl]-(1-ethyl-2,3-dimethylindol-5-yl)methanone is CCn1c(C)c(C)c2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc21.
What is the InChIKey of [4-(4-chlorophenyl)piperazin-1-yl]-(1-ethyl-2,3-dimethylindol-5-yl)methanone?
The InChIKey is FUCGDLBCNWSJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O/c1-4-27-17(3)16(2)21-15-18(5-10-22(21)27)23(28)26-13-11-25(12-14-26)20-8-6-19(24)7-9-20/h5-10,15H,4,11-14H2,1-3H3.
What are the key properties of [4-(4-chlorophenyl)piperazin-1-yl]-(1-ethyl-2,3-dimethylindol-5-yl)methanone?
[4-(4-chlorophenyl)piperazin-1-yl]-(1-ethyl-2,3-dimethylindol-5-yl)methanone has a molecular weight of 395.93 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)piperazin-1-yl]-(1-ethyl-2,3-dimethylindol-5-yl)methanone is sourced from PubChem (CID 95754456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).