1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(4-methoxyphenyl)piperazine

C22H28N6OS — CID 646150

IUPAC1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(C(c3cccs3)c3nnnn3C3CCCC3)CC2)cc1
InChIInChI=1S/C22H28N6OS/c1-29-19-10-8-17(9-11-19)26-12-14-27(15-13-26)21(20-7-4-16-30-20)22-23-24-25-28(22)18-5-2-3-6-18/h4,7-11,16,18,21H,2-3,5-6,12-15H2,1H3
InChIKeyAYJODHOGAZSOMY-UHFFFAOYSA-N
MW424.57 g/mol
LogP3.77
Rot. Bonds6

About 1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(4-methoxyphenyl)piperazine

1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(4-methoxyphenyl)piperazine (PubChem CID 646150) has the molecular formula C22H28N6OS and a molecular weight of 424.57 g/mol. Its IUPAC name is 1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(4-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(4-methoxyphenyl)piperazine
PubChem CID646150
Molecular FormulaC22H28N6OS
Molecular Weight424.57 g/mol
Exact Mass424.20
IUPAC Name1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(C(c3cccs3)c3nnnn3C3CCCC3)CC2)cc1
InChIInChI=1S/C22H28N6OS/c1-29-19-10-8-17(9-11-19)26-12-14-27(15-13-26)21(20-7-4-16-30-20)22-23-24-25-28(22)18-5-2-3-6-18/h4,7-11,16,18,21H,2-3,5-6,12-15H2,1H3
InChIKeyAYJODHOGAZSOMY-UHFFFAOYSA-N
XLogP3.77
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 53.77
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-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-2-(5-thiophen-2-yl-tetrazol-2-yl)-ethanone
CID 646380
1-(4-Methoxy-phenyl)-4-[1-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-butyl]-piperazine
CID 647108
1-{[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-thiophen-2-yl-methyl}-4-phenyl-piperazine
CID 649016
1-[(1-Cyclohexyltetrazol-5-yl)methyl]-4-(4-methoxyphenyl)piperazine
CID 1442952
1-[1-(1-Cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(4-methoxyphenyl)piperazine
CID 3208691
1-(2-Fluoro-phenyl)-4-[(4-methoxy-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-piperazine
CID 649190
1-[(1-Cyclopentyl-5-tetrazolyl)-thiophen-2-ylmethyl]-4-(2-methoxyphenyl)piperazine
CID 655956
3-[1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360337
1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 51360426
1-((1-(4-ethoxyphenyl)-1H-tetrazol-5-yl)methyl)-3-(thiophen-2-ylmethyl)urea
CID 18565966
4-[4-[[1-(2-Phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazin-1-yl]phenol
CID 644752
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-(3-fluoro-4-methoxyphenyl)-4-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 69713574

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(4-methoxyphenyl)piperazine?
The IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(4-methoxyphenyl)piperazine (CID 646150) is 1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(4-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(4-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(4-methoxyphenyl)piperazine is COc1ccc(N2CCN(C(c3cccs3)c3nnnn3C3CCCC3)CC2)cc1.
What is the InChIKey of 1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(4-methoxyphenyl)piperazine?
The InChIKey is AYJODHOGAZSOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6OS/c1-29-19-10-8-17(9-11-19)26-12-14-27(15-13-26)21(20-7-4-16-30-20)22-23-24-25-28(22)18-5-2-3-6-18/h4,7-11,16,18,21H,2-3,5-6,12-15H2,1H3.
What are the key properties of 1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(4-methoxyphenyl)piperazine?
1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(4-methoxyphenyl)piperazine has a molecular weight of 424.57 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(4-methoxyphenyl)piperazine is sourced from PubChem (CID 646150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).