N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide

C23H26Cl2N4O — CID 10873956

IUPACN-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide
SMILESO=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c[nH]c2ccccc12
InChIInChI=1S/C23H26Cl2N4O/c24-19-7-5-9-21(22(19)25)29-14-12-28(13-15-29)11-4-3-10-26-23(30)18-16-27-20-8-2-1-6-17(18)20/h1-2,5-9,16,27H,3-4,10-15H2,(H,26,30)
InChIKeySUMKBFVXRDCDIJ-UHFFFAOYSA-N
MW445.39 g/mol
LogP4.81
Rot. Bonds7

About N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide

N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide (PubChem CID 10873956) has the molecular formula C23H26Cl2N4O and a molecular weight of 445.39 g/mol. Its IUPAC name is N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide
PubChem CID10873956
Molecular FormulaC23H26Cl2N4O
Molecular Weight445.39 g/mol
Exact Mass444.15
IUPAC NameN-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide
SMILESO=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c[nH]c2ccccc12
InChIInChI=1S/C23H26Cl2N4O/c24-19-7-5-9-21(22(19)25)29-14-12-28(13-15-29)11-4-3-10-26-23(30)18-16-27-20-8-2-1-6-17(18)20/h1-2,5-9,16,27H,3-4,10-15H2,(H,26,30)
InChIKeySUMKBFVXRDCDIJ-UHFFFAOYSA-N
XLogP4.81
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.39
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-methoxynaphthalene-2-carboxamide
CID 11028157
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 11662289
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]anthracene-2-carboxamide;hydrochloride
CID 21202834
4-bromo-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-methoxynaphthalene-2-carboxamide;ethane;pentane
CID 143050992
1-benzyl-N-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-5-methyltriazole-4-carboxamide
CID 11540842
5-bromo-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 10007017
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-2,4-dimethyl-5-phenyl-1H-pyrrole-3-carboxamide
CID 58358816
(4-carbamoylnaphthalen-1-yl) N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]carbamate;hydrochloride
CID 127047318
2,3-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 38448999
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydroindolizine-2-carboxamide
CID 11568598
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-6-fluoro-2H-chromene-3-carboxamide
CID 59178312
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 45278886

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide (CID 10873956) is N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide is O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide?
The InChIKey is SUMKBFVXRDCDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N4O/c24-19-7-5-9-21(22(19)25)29-14-12-28(13-15-29)11-4-3-10-26-23(30)18-16-27-20-8-2-1-6-17(18)20/h1-2,5-9,16,27H,3-4,10-15H2,(H,26,30).
What are the key properties of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide?
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide has a molecular weight of 445.39 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 10873956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).