2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide

C20H23N7O2 — CID 1448653

IUPAC2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCOc1cccc(N2CCN(CC(=O)Nc3ccc(-n4cnnn4)cc3)CC2)c1
InChIInChI=1S/C20H23N7O2/c1-29-19-4-2-3-18(13-19)26-11-9-25(10-12-26)14-20(28)22-16-5-7-17(8-6-16)27-15-21-23-24-27/h2-8,13,15H,9-12,14H2,1H3,(H,22,28)
InChIKeyHBDXDPQAPSDQLX-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.43
Rot. Bonds6

About 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide

2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 1448653) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID1448653
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCOc1cccc(N2CCN(CC(=O)Nc3ccc(-n4cnnn4)cc3)CC2)c1
InChIInChI=1S/C20H23N7O2/c1-29-19-4-2-3-18(13-19)26-11-9-25(10-12-26)14-20(28)22-16-5-7-17(8-6-16)27-15-21-23-24-27/h2-8,13,15H,9-12,14H2,1H3,(H,22,28)
InChIKeyHBDXDPQAPSDQLX-UHFFFAOYSA-N
XLogP1.43
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide (CID 1448653) is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide is COc1cccc(N2CCN(CC(=O)Nc3ccc(-n4cnnn4)cc3)CC2)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is HBDXDPQAPSDQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-29-19-4-2-3-18(13-19)26-11-9-25(10-12-26)14-20(28)22-16-5-7-17(8-6-16)27-15-21-23-24-27/h2-8,13,15H,9-12,14H2,1H3,(H,22,28).
What are the key properties of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 393.45 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 1448653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).