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

C25H37N5O — CID 5307927

IUPACN-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCc1ccc(C)c(N2CCN(CCCNC(=O)Cn3cc4c(n3)CCC(C)C4)CC2)c1
InChIInChI=1S/C25H37N5O/c1-19-6-8-23-22(15-19)17-30(27-23)18-25(31)26-9-4-10-28-11-13-29(14-12-28)24-16-20(2)5-7-21(24)3/h5,7,16-17,19H,4,6,8-15,18H2,1-3H3,(H,26,31)
InChIKeyKMCFWEITYMYGNM-UHFFFAOYSA-N
MW423.61 g/mol
LogP2.95
Rot. Bonds7

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

N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide (PubChem CID 5307927) has the molecular formula C25H37N5O and a molecular weight of 423.61 g/mol. Its IUPAC name is N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
PubChem CID5307927
Molecular FormulaC25H37N5O
Molecular Weight423.61 g/mol
Exact Mass423.30
IUPAC NameN-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCc1ccc(C)c(N2CCN(CCCNC(=O)Cn3cc4c(n3)CCC(C)C4)CC2)c1
InChIInChI=1S/C25H37N5O/c1-19-6-8-23-22(15-19)17-30(27-23)18-25(31)26-9-4-10-28-11-13-29(14-12-28)24-16-20(2)5-7-21(24)3/h5,7,16-17,19H,4,6,8-15,18H2,1-3H3,(H,26,31)
InChIKeyKMCFWEITYMYGNM-UHFFFAOYSA-N
XLogP2.95
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.61
LogP ≤ 52.95
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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Related Compounds

N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 20892341
N-[(4-methylphenyl)methyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 20892369
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 20892336
N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(12-methyl-9-oxo-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)acetamide
CID 20884276
N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide
CID 20876655
3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-ol
CID 15572518
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CID 92678835
N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-4-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide
CID 22512957
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 42859076
2-(4-methylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 19526449
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-(5-fluoro-2-methylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The IUPAC name of N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide (CID 5307927) is N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide.
What is the SMILES notation for N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The canonical SMILES for N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide is Cc1ccc(C)c(N2CCN(CCCNC(=O)Cn3cc4c(n3)CCC(C)C4)CC2)c1.
What is the InChIKey of N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The InChIKey is KMCFWEITYMYGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O/c1-19-6-8-23-22(15-19)17-30(27-23)18-25(31)26-9-4-10-28-11-13-29(14-12-28)24-16-20(2)5-7-21(24)3/h5,7,16-17,19H,4,6,8-15,18H2,1-3H3,(H,26,31).
What are the key properties of N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide has a molecular weight of 423.61 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide is sourced from PubChem (CID 5307927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).