N-(4-tert-butylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide

C23H29N7O — CID 33451759

IUPACN-(4-tert-butylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
SMILESCC(C)(C)c1ccc(NC(=O)CN2CCN(c3nnnn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C23H29N7O/c1-23(2,3)18-9-11-19(12-10-18)24-21(31)17-28-13-15-29(16-14-28)22-25-26-27-30(22)20-7-5-4-6-8-20/h4-12H,13-17H2,1-3H3,(H,24,31)
InChIKeyONCDINNMYDZNDL-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.72
Rot. Bonds5

About N-(4-tert-butylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide

N-(4-tert-butylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide (PubChem CID 33451759) has the molecular formula C23H29N7O and a molecular weight of 419.53 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
PubChem CID33451759
Molecular FormulaC23H29N7O
Molecular Weight419.53 g/mol
Exact Mass419.24
IUPAC NameN-(4-tert-butylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
SMILESCC(C)(C)c1ccc(NC(=O)CN2CCN(c3nnnn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C23H29N7O/c1-23(2,3)18-9-11-19(12-10-18)24-21(31)17-28-13-15-29(16-14-28)22-25-26-27-30(22)20-7-5-4-6-8-20/h4-12H,13-17H2,1-3H3,(H,24,31)
InChIKeyONCDINNMYDZNDL-UHFFFAOYSA-N
XLogP2.72
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 55601224
N-(4-methylsulfonylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
CID 55601214
N-(3-fluorophenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
CID 9338225
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 51119848
N-benzyl-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
CID 26041068
N-(4-tert-butylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 982894
N-(4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide
CID 134790678
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanethioamide
CID 63337234
2-(4-phenylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1051921
N-(4-tert-butylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027175
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
CID 55628324
2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 90507543

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide (CID 33451759) is N-(4-tert-butylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide is CC(C)(C)c1ccc(NC(=O)CN2CCN(c3nnnn3-c3ccccc3)CC2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide?
The InChIKey is ONCDINNMYDZNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O/c1-23(2,3)18-9-11-19(12-10-18)24-21(31)17-28-13-15-29(16-14-28)22-25-26-27-30(22)20-7-5-4-6-8-20/h4-12H,13-17H2,1-3H3,(H,24,31).
What are the key properties of N-(4-tert-butylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide?
N-(4-tert-butylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide has a molecular weight of 419.53 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 33451759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).