1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone

C18H20N6O2S — CID 646380

IUPAC1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
SMILESCOc1ccc(N2CCN(C(=O)Cn3nnc(-c4cccs4)n3)CC2)cc1
InChIInChI=1S/C18H20N6O2S/c1-26-15-6-4-14(5-7-15)22-8-10-23(11-9-22)17(25)13-24-20-18(19-21-24)16-3-2-12-27-16/h2-7,12H,8-11,13H2,1H3
InChIKeyGHEITPQBXKEIQN-UHFFFAOYSA-N
MW384.47 g/mol
LogP1.76
Rot. Bonds5

About 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone

1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone (PubChem CID 646380) has the molecular formula C18H20N6O2S and a molecular weight of 384.47 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
PubChem CID646380
Molecular FormulaC18H20N6O2S
Molecular Weight384.47 g/mol
Exact Mass384.14
IUPAC Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
SMILESCOc1ccc(N2CCN(C(=O)Cn3nnc(-c4cccs4)n3)CC2)cc1
InChIInChI=1S/C18H20N6O2S/c1-26-15-6-4-14(5-7-15)22-8-10-23(11-9-22)17(25)13-24-20-18(19-21-24)16-3-2-12-27-16/h2-7,12H,8-11,13H2,1H3
InChIKeyGHEITPQBXKEIQN-UHFFFAOYSA-N
XLogP1.76
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-4-(4-methoxy-phenyl)-piperazine
CID 646150
1-(4-Methoxy-phenyl)-4-[1-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-butyl]-piperazine
CID 647108
1-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-2-(5-thiophen-2-yl-tetrazol-2-yl)-ethanone
CID 646274
N-(2-methoxyphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 3190220
N-benzyl-2-(2-methoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide
CID 3190188
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 17490199
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 39814062
2-[5-(2-Thienyl)-2H-tetrazol-2-YL]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 5295423
N-(4-methoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 16327728
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 1143934
N-tert-butyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)-2-thiophen-2-ylacetamide
CID 3179222
N-{4-[Chloro(difluoro)methoxy]phenyl}-2-[5-(2-thienyl)-2H-tetrazol-2-YL]acetamide
CID 5295431

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone?
The IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone (CID 646380) is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone?
The canonical SMILES for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone is COc1ccc(N2CCN(C(=O)Cn3nnc(-c4cccs4)n3)CC2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone?
The InChIKey is GHEITPQBXKEIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2S/c1-26-15-6-4-14(5-7-15)22-8-10-23(11-9-22)17(25)13-24-20-18(19-21-24)16-3-2-12-27-16/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone?
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone has a molecular weight of 384.47 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone is sourced from PubChem (CID 646380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).