1-cyclopentyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine

C22H28N6S — CID 655925

IUPAC1-cyclopentyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
SMILESc1ccc(C(c2nnnn2Cc2cccs2)N2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C22H28N6S/c1-2-7-18(8-3-1)21(22-23-24-25-28(22)17-20-11-6-16-29-20)27-14-12-26(13-15-27)19-9-4-5-10-19/h1-3,6-8,11,16,19,21H,4-5,9-10,12-15,17H2
InChIKeyKOWCBGMLPKRVKM-UHFFFAOYSA-N
MW408.58 g/mol
LogP3.43
Rot. Bonds6

About 1-cyclopentyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine

1-cyclopentyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine (PubChem CID 655925) has the molecular formula C22H28N6S and a molecular weight of 408.58 g/mol. Its IUPAC name is 1-cyclopentyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-cyclopentyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
PubChem CID655925
Molecular FormulaC22H28N6S
Molecular Weight408.58 g/mol
Exact Mass408.21
IUPAC Name1-cyclopentyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
SMILESc1ccc(C(c2nnnn2Cc2cccs2)N2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C22H28N6S/c1-2-7-18(8-3-1)21(22-23-24-25-28(22)17-20-11-6-16-29-20)27-14-12-26(13-15-27)19-9-4-5-10-19/h1-3,6-8,11,16,19,21H,4-5,9-10,12-15,17H2
InChIKeyKOWCBGMLPKRVKM-UHFFFAOYSA-N
XLogP3.43
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.58
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-cyclopentyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine (CID 655925) is 1-cyclopentyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-cyclopentyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-cyclopentyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine is c1ccc(C(c2nnnn2Cc2cccs2)N2CCN(C3CCCC3)CC2)cc1.
What is the InChIKey of 1-cyclopentyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
The InChIKey is KOWCBGMLPKRVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6S/c1-2-7-18(8-3-1)21(22-23-24-25-28(22)17-20-11-6-16-29-20)27-14-12-26(13-15-27)19-9-4-5-10-19/h1-3,6-8,11,16,19,21H,4-5,9-10,12-15,17H2.
What are the key properties of 1-cyclopentyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
1-cyclopentyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine has a molecular weight of 408.58 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 655925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).