2-indazol-1-yl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]propanamide

C24H31N5O2 — CID 122175814

IUPAC2-indazol-1-yl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]propanamide
SMILESCOc1ccc(N2CCN(CCCNC(=O)C(C)n3ncc4ccccc43)CC2)cc1
InChIInChI=1S/C24H31N5O2/c1-19(29-23-7-4-3-6-20(23)18-26-29)24(30)25-12-5-13-27-14-16-28(17-15-27)21-8-10-22(31-2)11-9-21/h3-4,6-11,18-19H,5,12-17H2,1-2H3,(H,25,30)
InChIKeyKXCBDKMYPHLWPM-UHFFFAOYSA-N
MW421.55 g/mol
LogP2.93
Rot. Bonds8

About 2-indazol-1-yl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]propanamide

2-indazol-1-yl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]propanamide (PubChem CID 122175814) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 2-indazol-1-yl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]propanamide.

Molecular Properties

Compound Name2-indazol-1-yl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]propanamide
PubChem CID122175814
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name2-indazol-1-yl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]propanamide
SMILESCOc1ccc(N2CCN(CCCNC(=O)C(C)n3ncc4ccccc43)CC2)cc1
InChIInChI=1S/C24H31N5O2/c1-19(29-23-7-4-3-6-20(23)18-26-29)24(30)25-12-5-13-27-14-16-28(17-15-27)21-8-10-22(31-2)11-9-21/h3-4,6-11,18-19H,5,12-17H2,1-2H3,(H,25,30)
InChIKeyKXCBDKMYPHLWPM-UHFFFAOYSA-N
XLogP2.93
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-indazol-1-yl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-indazol-1-yl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 122175815
N'-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N-methyloxamide
CID 42390380
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-phenylbenzamide
CID 41277718
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N'-(2-methylphenyl)oxamide
CID 42390414
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide
CID 39990796
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2,5-dimethylbenzamide
CID 42224706
3-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224410
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326183
3,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 31568208
3-amino-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]pyrazine-2-carboxamide
CID 35412998
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide
CID 46328254
2-(6-chloro-3-pyridinyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]acetamide
CID 86933478

Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-yl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]propanamide?
The IUPAC name of 2-indazol-1-yl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]propanamide (CID 122175814) is 2-indazol-1-yl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]propanamide.
What is the SMILES notation for 2-indazol-1-yl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]propanamide?
The canonical SMILES for 2-indazol-1-yl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]propanamide is COc1ccc(N2CCN(CCCNC(=O)C(C)n3ncc4ccccc43)CC2)cc1.
What is the InChIKey of 2-indazol-1-yl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]propanamide?
The InChIKey is KXCBDKMYPHLWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-19(29-23-7-4-3-6-20(23)18-26-29)24(30)25-12-5-13-27-14-16-28(17-15-27)21-8-10-22(31-2)11-9-21/h3-4,6-11,18-19H,5,12-17H2,1-2H3,(H,25,30).
What are the key properties of 2-indazol-1-yl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]propanamide?
2-indazol-1-yl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]propanamide has a molecular weight of 421.55 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-yl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]propanamide is sourced from PubChem (CID 122175814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).