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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Benzyl-5-thiophen-2-yltetrazole
CID 561448
Benzyl-[1-(1-tert-butyl-1H-tetrazol-5-yl)-2-methyl-propyl]-thiophen-2-ylmethyl-amine
CID 648935
1-[(4-Fluoro-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-4-phenyl-piperazine
CID 3210291
4-[(1-Phenethyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-morpholine
CID 644519
4-[(1-Benzyl-1H-tetrazol-5-yl)-(4-fluoro-phenyl)-methyl]-thiomorpholine
CID 645972
1-Ethyl-4-[(4-fluoro-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-piperazine
CID 647074
1-(4-Fluorophenyl)-4-[[1-(2-phenylethyl)-5-tetrazolyl]-thiophen-2-ylmethyl]piperazine
CID 649400
1-Cyclohexyl-4-[(4-fluoro-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-piperazine
CID 650502
4-Benzyl-1-[(1-cyclopentyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-piperidine
CID 651241
4-[1-(1-Benzyl-1H-tetrazol-5-yl)-2-methyl-propyl]-thiomorpholine
CID 652611
N-[(1-cyclohexyl-5-tetrazolyl)-thiophen-2-ylmethyl]-N-(phenylmethyl)ethanamine
CID 654196
4-{1-[1-(4-Fluoro-benzyl)-1H-tetrazol-5-yl]-2-methyl-propyl}-thiomorpholine
CID 654208

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).