N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

C23H32ClN5O — CID 20892341

IUPACN-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCc1ccc(Cl)cc1N1CCN(CCCNC(=O)Cn2cc3c(n2)CCCC3)CC1
InChIInChI=1S/C23H32ClN5O/c1-18-7-8-20(24)15-22(18)28-13-11-27(12-14-28)10-4-9-25-23(30)17-29-16-19-5-2-3-6-21(19)26-29/h7-8,15-16H,2-6,9-14,17H2,1H3,(H,25,30)
InChIKeyJJRYANNKHOTZNG-UHFFFAOYSA-N
MW430.00 g/mol
LogP3.05
Rot. Bonds7

About N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (PubChem CID 20892341) has the molecular formula C23H32ClN5O and a molecular weight of 430.00 g/mol. Its IUPAC name is N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
PubChem CID20892341
Molecular FormulaC23H32ClN5O
Molecular Weight430.00 g/mol
Exact Mass429.23
IUPAC NameN-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCc1ccc(Cl)cc1N1CCN(CCCNC(=O)Cn2cc3c(n2)CCCC3)CC1
InChIInChI=1S/C23H32ClN5O/c1-18-7-8-20(24)15-22(18)28-13-11-27(12-14-28)10-4-9-25-23(30)17-29-16-19-5-2-3-6-21(19)26-29/h7-8,15-16H,2-6,9-14,17H2,1H3,(H,25,30)
InChIKeyJJRYANNKHOTZNG-UHFFFAOYSA-N
XLogP3.05
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.00
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The IUPAC name of N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (CID 20892341) is N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.
What is the SMILES notation for N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The canonical SMILES for N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)Cn2cc3c(n2)CCCC3)CC1.
What is the InChIKey of N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The InChIKey is JJRYANNKHOTZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN5O/c1-18-7-8-20(24)15-22(18)28-13-11-27(12-14-28)10-4-9-25-23(30)17-29-16-19-5-2-3-6-21(19)26-29/h7-8,15-16H,2-6,9-14,17H2,1H3,(H,25,30).
What are the key properties of N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide has a molecular weight of 430.00 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is sourced from PubChem (CID 20892341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).