[4-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1H-indole-2-carbonyl]piperazin-1-yl]-phenylmethanone

C32H32Cl2N4O2 — CID 69075099

IUPAC[4-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1H-indole-2-carbonyl]piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(C(=O)c2[nH]c3ccccc3c2CN2CCC(c3c(Cl)cccc3Cl)CC2)CC1
InChIInChI=1S/C32H32Cl2N4O2/c33-26-10-6-11-27(34)29(26)22-13-15-36(16-14-22)21-25-24-9-4-5-12-28(24)35-30(25)32(40)38-19-17-37(18-20-38)31(39)23-7-2-1-3-8-23/h1-12,22,35H,13-21H2
InChIKeyCJDLJJKSKARZQS-UHFFFAOYSA-N
MW575.54 g/mol
LogP6.45
Rot. Bonds5

About [4-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1H-indole-2-carbonyl]piperazin-1-yl]-phenylmethanone

[4-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1H-indole-2-carbonyl]piperazin-1-yl]-phenylmethanone (PubChem CID 69075099) has the molecular formula C32H32Cl2N4O2 and a molecular weight of 575.54 g/mol. Its IUPAC name is [4-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1H-indole-2-carbonyl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1H-indole-2-carbonyl]piperazin-1-yl]-phenylmethanone
PubChem CID69075099
Molecular FormulaC32H32Cl2N4O2
Molecular Weight575.54 g/mol
Exact Mass574.19
IUPAC Name[4-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1H-indole-2-carbonyl]piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(C(=O)c2[nH]c3ccccc3c2CN2CCC(c3c(Cl)cccc3Cl)CC2)CC1
InChIInChI=1S/C32H32Cl2N4O2/c33-26-10-6-11-27(34)29(26)22-13-15-36(16-14-22)21-25-24-9-4-5-12-28(24)35-30(25)32(40)38-19-17-37(18-20-38)31(39)23-7-2-1-3-8-23/h1-12,22,35H,13-21H2
InChIKeyCJDLJJKSKARZQS-UHFFFAOYSA-N
XLogP6.45
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.54
LogP ≤ 56.45
H-Bond Donors ≤ 51
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-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-1H-indole-2-carbonyl]piperidine-4-carboxamide
CID 69080494
4-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-1H-indole-2-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
CID 69076313
2-[4-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-1H-indole-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone;dihydrochloride
CID 69075676
[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-1H-indol-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 69074674
N-[1-[3-[[4-(2-chloro-6-fluorophenyl)piperidin-1-yl]methyl]-1H-indole-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
CID 24889636
7-azabicyclo[2.2.1]heptan-7-yl-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-1H-indol-2-yl]methanone
CID 69076323
[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-1H-indol-2-yl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 69074498
(4-cyclohexylpiperazin-1-yl)-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-1H-indol-2-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 87681777
3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-pyridin-2-yl-1H-indole
CID 11305129
[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-1H-indol-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride
CID 69075153
2-(4-chlorophenyl)-3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1H-indole
CID 11178875
3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-N,N-dimethyl-1H-indole-2-carboxamide
CID 11620349

Frequently Asked Questions

What is the IUPAC name of [4-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1H-indole-2-carbonyl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1H-indole-2-carbonyl]piperazin-1-yl]-phenylmethanone (CID 69075099) is [4-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1H-indole-2-carbonyl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1H-indole-2-carbonyl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1H-indole-2-carbonyl]piperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN(C(=O)c2[nH]c3ccccc3c2CN2CCC(c3c(Cl)cccc3Cl)CC2)CC1.
What is the InChIKey of [4-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1H-indole-2-carbonyl]piperazin-1-yl]-phenylmethanone?
The InChIKey is CJDLJJKSKARZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32Cl2N4O2/c33-26-10-6-11-27(34)29(26)22-13-15-36(16-14-22)21-25-24-9-4-5-12-28(24)35-30(25)32(40)38-19-17-37(18-20-38)31(39)23-7-2-1-3-8-23/h1-12,22,35H,13-21H2.
What are the key properties of [4-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1H-indole-2-carbonyl]piperazin-1-yl]-phenylmethanone?
[4-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1H-indole-2-carbonyl]piperazin-1-yl]-phenylmethanone has a molecular weight of 575.54 g/mol, XLogP of 6.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1H-indole-2-carbonyl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 69075099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).