2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide

C17H24ClN7O — CID 78834489

IUPAC2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
SMILESCN1CCN(CCCNC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C17H24ClN7O/c1-23-9-11-24(12-10-23)8-2-7-19-16(26)13-25-21-17(20-22-25)14-3-5-15(18)6-4-14/h3-6H,2,7-13H2,1H3,(H,19,26)
InChIKeyLCTSEFKAZBWRPN-UHFFFAOYSA-N
MW377.88 g/mol
LogP0.75
Rot. Bonds7

About 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide (PubChem CID 78834489) has the molecular formula C17H24ClN7O and a molecular weight of 377.88 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
PubChem CID78834489
Molecular FormulaC17H24ClN7O
Molecular Weight377.88 g/mol
Exact Mass377.17
IUPAC Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
SMILESCN1CCN(CCCNC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C17H24ClN7O/c1-23-9-11-24(12-10-23)8-2-7-19-16(26)13-25-21-17(20-22-25)14-3-5-15(18)6-4-14/h3-6H,2,7-13H2,1H3,(H,19,26)
InChIKeyLCTSEFKAZBWRPN-UHFFFAOYSA-N
XLogP0.75
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide 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

N-[2-(4-chlorophenyl)ethyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 2529123
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2529149
N-[2-(3-chlorophenyl)ethyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 17478597
N-[2-(4-chlorophenyl)sulfanylethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7630778
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 8850893
N-(3-amino-2-methylpropyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 119997682
4-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-N-ethylpiperazine-1-carboxamide
CID 78819339
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119536552
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]acetamide
CID 112812249
N-[(4-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7465914
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120944477
methyl 4-[[2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]acetyl]amino]butanoate
CID 51096573

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide (CID 78834489) is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide is CN1CCN(CCCNC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)CC1.
What is the InChIKey of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide?
The InChIKey is LCTSEFKAZBWRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN7O/c1-23-9-11-24(12-10-23)8-2-7-19-16(26)13-25-21-17(20-22-25)14-3-5-15(18)6-4-14/h3-6H,2,7-13H2,1H3,(H,19,26).
What are the key properties of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide?
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide has a molecular weight of 377.88 g/mol, XLogP of 0.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide is sourced from PubChem (CID 78834489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).