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

C22H28N6OS — CID 655956

IUPAC1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(C(c2cccs2)c2nnnn2C2CCCC2)CC1
InChIInChI=1S/C22H28N6OS/c1-29-19-10-5-4-9-18(19)26-12-14-27(15-13-26)21(20-11-6-16-30-20)22-23-24-25-28(22)17-7-2-3-8-17/h4-6,9-11,16-17,21H,2-3,7-8,12-15H2,1H3
InChIKeyPBWHJOMTCNWSLB-UHFFFAOYSA-N
MW424.57 g/mol
LogP3.77
Rot. Bonds6

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

1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 655956) 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-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-methoxyphenyl)piperazine
PubChem CID655956
Molecular FormulaC22H28N6OS
Molecular Weight424.57 g/mol
Exact Mass424.20
IUPAC Name1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(C(c2cccs2)c2nnnn2C2CCCC2)CC1
InChIInChI=1S/C22H28N6OS/c1-29-19-10-5-4-9-18(19)26-12-14-27(15-13-26)21(20-11-6-16-30-20)22-23-24-25-28(22)17-7-2-3-8-17/h4-6,9-11,16-17,21H,2-3,7-8,12-15H2,1H3
InChIKeyPBWHJOMTCNWSLB-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

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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-{[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-thiophen-2-yl-methyl}-4-phenyl-piperazine
CID 649016
1-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-2-(5-thiophen-2-yl-tetrazol-2-yl)-ethanone
CID 646274
1-(2-Fluoro-phenyl)-4-[(4-methoxy-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-piperazine
CID 649190
1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 51360426
1-[(S)-(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]-4-(3-methoxyphenyl)piperazine
CID 1448442
1-[(R)-(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]-4-(3-methoxyphenyl)piperazine
CID 1448445
1-[(S)-(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine
CID 1448460
1-[(R)-(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine
CID 1448464
1-[(S)-(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]-4-(4-methoxyphenyl)piperazine
CID 1448465
1-[(R)-(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]-4-(4-methoxyphenyl)piperazine
CID 1448467

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-methoxyphenyl)piperazine (CID 655956) is 1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(C(c2cccs2)c2nnnn2C2CCCC2)CC1.
What is the InChIKey of 1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is PBWHJOMTCNWSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6OS/c1-29-19-10-5-4-9-18(19)26-12-14-27(15-13-26)21(20-11-6-16-30-20)22-23-24-25-28(22)17-7-2-3-8-17/h4-6,9-11,16-17,21H,2-3,7-8,12-15H2,1H3.
What are the key properties of 1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-methoxyphenyl)piperazine?
1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-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-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 655956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).