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

C20H23N7O — CID 26041068

IUPACN-benzyl-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2nnnn2-c2ccccc2)CC1)NCc1ccccc1
InChIInChI=1S/C20H23N7O/c28-19(21-15-17-7-3-1-4-8-17)16-25-11-13-26(14-12-25)20-22-23-24-27(20)18-9-5-2-6-10-18/h1-10H,11-16H2,(H,21,28)
InChIKeyVMDCIWFVFHAMRU-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.10
Rot. Bonds6

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

N-benzyl-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide (PubChem CID 26041068) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is N-benzyl-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
PubChem CID26041068
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC NameN-benzyl-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2nnnn2-c2ccccc2)CC1)NCc1ccccc1
InChIInChI=1S/C20H23N7O/c28-19(21-15-17-7-3-1-4-8-17)16-25-11-13-26(14-12-25)20-22-23-24-27(20)18-9-5-2-6-10-18/h1-10H,11-16H2,(H,21,28)
InChIKeyVMDCIWFVFHAMRU-UHFFFAOYSA-N
XLogP1.10
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
CID 55600931
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 51119848
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 55601224
N-(4-tert-butylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
CID 33451759
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanethioamide
CID 63337234
N-(3-fluorophenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
CID 9338225
N-(4-methylsulfonylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
CID 55601214
N-benzyl-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide
CID 24607580
N-(methylcarbamoyl)-3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide
CID 55628304
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
CID 55628324
1-(4-methylsulfonylpiperazin-1-yl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone
CID 55601179
N-benzyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 30636979

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide (CID 26041068) is N-benzyl-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide is O=C(CN1CCN(c2nnnn2-c2ccccc2)CC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide?
The InChIKey is VMDCIWFVFHAMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c28-19(21-15-17-7-3-1-4-8-17)16-25-11-13-26(14-12-25)20-22-23-24-27(20)18-9-5-2-6-10-18/h1-10H,11-16H2,(H,21,28).
What are the key properties of N-benzyl-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide?
N-benzyl-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide has a molecular weight of 377.45 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 26041068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).