N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(tetrazol-1-yl)acetamide

C18H27N7O — CID 60559251

IUPACN-[4-(4-benzylpiperazin-1-yl)butyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NCCCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H27N7O/c26-18(15-25-16-20-21-22-25)19-8-4-5-9-23-10-12-24(13-11-23)14-17-6-2-1-3-7-17/h1-3,6-7,16H,4-5,8-15H2,(H,19,26)
InChIKeyRKVQNVTYFURIMM-UHFFFAOYSA-N
MW357.46 g/mol
LogP0.39
Rot. Bonds9

About N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(tetrazol-1-yl)acetamide

N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 60559251) has the molecular formula C18H27N7O and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperazin-1-yl)butyl]-2-(tetrazol-1-yl)acetamide
PubChem CID60559251
Molecular FormulaC18H27N7O
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC NameN-[4-(4-benzylpiperazin-1-yl)butyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NCCCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H27N7O/c26-18(15-25-16-20-21-22-25)19-8-4-5-9-23-10-12-24(13-11-23)14-17-6-2-1-3-7-17/h1-3,6-7,16H,4-5,8-15H2,(H,19,26)
InChIKeyRKVQNVTYFURIMM-UHFFFAOYSA-N
XLogP0.39
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(methylamino)acetamide
CID 120703889
N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 55934028
N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 60544904
7-[[2-(tetrazol-1-yl)acetyl]amino]heptanoic acid
CID 24702857
4-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]butanamide;trihydrochloride
CID 119902006
N-[4-(4-benzylpiperazin-1-yl)butyl]pyridine-2-carboxamide
CID 55932888
1-[3-(4-benzylpiperazin-1-yl)propyl]-3-(2-hydroxyethyl)urea
CID 110894265
2-(4-benzylpiperazin-1-yl)-N-[2-(ethylamino)ethyl]acetamide
CID 119505382
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(4-sulfamoylphenyl)acetamide
CID 56546473
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55633973
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 39985544
2-(4-benzylpiperazin-1-yl)-N-[2-(methylamino)ethyl]acetamide
CID 119500637

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(tetrazol-1-yl)acetamide (CID 60559251) is N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)NCCCCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is RKVQNVTYFURIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O/c26-18(15-25-16-20-21-22-25)19-8-4-5-9-23-10-12-24(13-11-23)14-17-6-2-1-3-7-17/h1-3,6-7,16H,4-5,8-15H2,(H,19,26).
What are the key properties of N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(tetrazol-1-yl)acetamide?
N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 357.46 g/mol, XLogP of 0.39, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 60559251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).