N-benzyl-2-[4-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperazin-1-yl]acetamide

C22H25N7O2 — CID 55651949

IUPACN-benzyl-2-[4-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC1)NCc1ccccc1
InChIInChI=1S/C22H25N7O2/c30-21(23-15-19-4-2-1-3-5-19)16-27-10-12-28(13-11-27)22(31)14-18-6-8-20(9-7-18)29-17-24-25-26-29/h1-9,17H,10-16H2,(H,23,30)
InChIKeyCBTKERNVDRIRDE-UHFFFAOYSA-N
MW419.49 g/mol
LogP0.67
Rot. Bonds7

About N-benzyl-2-[4-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperazin-1-yl]acetamide

N-benzyl-2-[4-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperazin-1-yl]acetamide (PubChem CID 55651949) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-benzyl-2-[4-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperazin-1-yl]acetamide
PubChem CID55651949
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC NameN-benzyl-2-[4-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC1)NCc1ccccc1
InChIInChI=1S/C22H25N7O2/c30-21(23-15-19-4-2-1-3-5-19)16-27-10-12-28(13-11-27)22(31)14-18-6-8-20(9-7-18)29-17-24-25-26-29/h1-9,17H,10-16H2,(H,23,30)
InChIKeyCBTKERNVDRIRDE-UHFFFAOYSA-N
XLogP0.67
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide
CID 78858542
N-benzyl-2-[4-[2-(4-bromophenyl)acetyl]piperazin-1-yl]acetamide
CID 34436116
1-(4-propylpiperazin-1-yl)-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 39734467
2-[4-(tetrazol-1-yl)phenyl]-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 78858538
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55631991
N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 52583686
N-benzyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30636341
4-[2-[4-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]benzonitrile
CID 67518221
N-benzyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
CID 51329271
N-benzyl-2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]acetamide
CID 46700155
N-[[(1S,2R)-2-phenylcyclopropyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 97081592
N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 97081594

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperazin-1-yl]acetamide (CID 55651949) is N-benzyl-2-[4-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperazin-1-yl]acetamide?
The InChIKey is CBTKERNVDRIRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c30-21(23-15-19-4-2-1-3-5-19)16-27-10-12-28(13-11-27)22(31)14-18-6-8-20(9-7-18)29-17-24-25-26-29/h1-9,17H,10-16H2,(H,23,30).
What are the key properties of N-benzyl-2-[4-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperazin-1-yl]acetamide?
N-benzyl-2-[4-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperazin-1-yl]acetamide has a molecular weight of 419.49 g/mol, XLogP of 0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55651949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).