2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-1-(4-propylpiperazin-1-yl)propan-1-one

C24H33ClN4O2 — CID 46376388

IUPAC2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-1-(4-propylpiperazin-1-yl)propan-1-one
SMILESCCCN1CCN(C(=O)C(C)C2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)CC1
InChIInChI=1S/C24H33ClN4O2/c1-3-8-27-11-13-29(14-12-27)23(30)17(2)18-6-9-28(10-7-18)24(31)22-16-19-15-20(25)4-5-21(19)26-22/h4-5,15-18,26H,3,6-14H2,1-2H3
InChIKeyIFFCHOQOMYCALG-UHFFFAOYSA-N
MW445.01 g/mol
LogP3.86
Rot. Bonds5

About 2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-1-(4-propylpiperazin-1-yl)propan-1-one

2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-1-(4-propylpiperazin-1-yl)propan-1-one (PubChem CID 46376388) has the molecular formula C24H33ClN4O2 and a molecular weight of 445.01 g/mol. Its IUPAC name is 2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-1-(4-propylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-1-(4-propylpiperazin-1-yl)propan-1-one
PubChem CID46376388
Molecular FormulaC24H33ClN4O2
Molecular Weight445.01 g/mol
Exact Mass444.23
IUPAC Name2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-1-(4-propylpiperazin-1-yl)propan-1-one
SMILESCCCN1CCN(C(=O)C(C)C2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)CC1
InChIInChI=1S/C24H33ClN4O2/c1-3-8-27-11-13-29(14-12-27)23(30)17(2)18-6-9-28(10-7-18)24(31)22-16-19-15-20(25)4-5-21(19)26-22/h4-5,15-18,26H,3,6-14H2,1-2H3
InChIKeyIFFCHOQOMYCALG-UHFFFAOYSA-N
XLogP3.86
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.01
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-1-(4-propylpiperazin-1-yl)propan-1-one with MolForge

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Related Compounds

2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-1-(4-cyclohexylpiperazin-1-yl)propan-1-one
CID 50816910
2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 50816816
(2S)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 93077012
(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 92879920
(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 93077023
(2R)-N-[3-(azepan-1-yl)propyl]-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 94089259
(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 93077025
(5-chloro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134034136
(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide
CID 93077007
N-benzyl-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 46376376
(2S)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-methoxypropyl)propanamide
CID 93077018
(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(3R)-3-pyrrolidin-1-ylbutyl]propanamide
CID 93077047

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-1-(4-propylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-1-(4-propylpiperazin-1-yl)propan-1-one (CID 46376388) is 2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-1-(4-propylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-1-(4-propylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-1-(4-propylpiperazin-1-yl)propan-1-one is CCCN1CCN(C(=O)C(C)C2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)CC1.
What is the InChIKey of 2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-1-(4-propylpiperazin-1-yl)propan-1-one?
The InChIKey is IFFCHOQOMYCALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN4O2/c1-3-8-27-11-13-29(14-12-27)23(30)17(2)18-6-9-28(10-7-18)24(31)22-16-19-15-20(25)4-5-21(19)26-22/h4-5,15-18,26H,3,6-14H2,1-2H3.
What are the key properties of 2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-1-(4-propylpiperazin-1-yl)propan-1-one?
2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-1-(4-propylpiperazin-1-yl)propan-1-one has a molecular weight of 445.01 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-1-(4-propylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 46376388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).