2-[4-(3-methylphenyl)piperazin-1-yl]-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide

C20H23N7O2 — CID 131925701

IUPAC2-[4-(3-methylphenyl)piperazin-1-yl]-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide
SMILESCc1cccc(N2CCN(CC(=O)Nc3ccc(Oc4nn[nH]n4)cc3)CC2)c1
InChIInChI=1S/C20H23N7O2/c1-15-3-2-4-17(13-15)27-11-9-26(10-12-27)14-19(28)21-16-5-7-18(8-6-16)29-20-22-24-25-23-20/h2-8,13H,9-12,14H2,1H3,(H,21,28)(H,22,23,24,25)
InChIKeyVSPGCZIXIGMPHR-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.06
Rot. Bonds6

About 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide

2-[4-(3-methylphenyl)piperazin-1-yl]-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide (PubChem CID 131925701) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-methylphenyl)piperazin-1-yl]-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide
PubChem CID131925701
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name2-[4-(3-methylphenyl)piperazin-1-yl]-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide
SMILESCc1cccc(N2CCN(CC(=O)Nc3ccc(Oc4nn[nH]n4)cc3)CC2)c1
InChIInChI=1S/C20H23N7O2/c1-15-3-2-4-17(13-15)27-11-9-26(10-12-27)14-19(28)21-16-5-7-18(8-6-16)29-20-22-24-25-23-20/h2-8,13H,9-12,14H2,1H3,(H,21,28)(H,22,23,24,25)
InChIKeyVSPGCZIXIGMPHR-UHFFFAOYSA-N
XLogP2.06
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 1448514
2-[4-(3-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 18124603
N-methyl-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 34735853
N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 18124601
N-(2,6-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731939
N-(4-acetamidophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 41312804
N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 131897568
N-(4-ethoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109029408
N-(4-fluorophenyl)-2-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 34735668
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 863788
N-(2-tert-butylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34736252
N-(4-acetamidophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 2685330

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide?
The IUPAC name of 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide (CID 131925701) is 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide.
What is the SMILES notation for 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide?
The canonical SMILES for 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide is Cc1cccc(N2CCN(CC(=O)Nc3ccc(Oc4nn[nH]n4)cc3)CC2)c1.
What is the InChIKey of 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide?
The InChIKey is VSPGCZIXIGMPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-15-3-2-4-17(13-15)27-11-9-26(10-12-27)14-19(28)21-16-5-7-18(8-6-16)29-20-22-24-25-23-20/h2-8,13H,9-12,14H2,1H3,(H,21,28)(H,22,23,24,25).
What are the key properties of 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide?
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide has a molecular weight of 393.45 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide is sourced from PubChem (CID 131925701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).