1-cyclopentyl-4-[(1S)-1-[1-(2-phenylethyl)tetrazol-5-yl]pentyl]piperazine

C23H36N6 — CID 7397380

IUPAC1-cyclopentyl-4-[(1S)-1-[1-(2-phenylethyl)tetrazol-5-yl]pentyl]piperazine
SMILESCCCC[C@@H](c1nnnn1CCc1ccccc1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C23H36N6/c1-2-3-13-22(28-18-16-27(17-19-28)21-11-7-8-12-21)23-24-25-26-29(23)15-14-20-9-5-4-6-10-20/h4-6,9-10,21-22H,2-3,7-8,11-19H2,1H3/t22-/m0/s1
InChIKeyUBVNPEANJCLKBS-QFIPXVFZSA-N
MW396.58 g/mol
LogP3.71
Rot. Bonds9

About 1-cyclopentyl-4-[(1S)-1-[1-(2-phenylethyl)tetrazol-5-yl]pentyl]piperazine

1-cyclopentyl-4-[(1S)-1-[1-(2-phenylethyl)tetrazol-5-yl]pentyl]piperazine (PubChem CID 7397380) has the molecular formula C23H36N6 and a molecular weight of 396.58 g/mol. Its IUPAC name is 1-cyclopentyl-4-[(1S)-1-[1-(2-phenylethyl)tetrazol-5-yl]pentyl]piperazine.

Molecular Properties

Compound Name1-cyclopentyl-4-[(1S)-1-[1-(2-phenylethyl)tetrazol-5-yl]pentyl]piperazine
PubChem CID7397380
Molecular FormulaC23H36N6
Molecular Weight396.58 g/mol
Exact Mass396.30
IUPAC Name1-cyclopentyl-4-[(1S)-1-[1-(2-phenylethyl)tetrazol-5-yl]pentyl]piperazine
SMILESCCCC[C@@H](c1nnnn1CCc1ccccc1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C23H36N6/c1-2-3-13-22(28-18-16-27(17-19-28)21-11-7-8-12-21)23-24-25-26-29(23)15-14-20-9-5-4-6-10-20/h4-6,9-10,21-22H,2-3,7-8,11-19H2,1H3/t22-/m0/s1
InChIKeyUBVNPEANJCLKBS-QFIPXVFZSA-N
XLogP3.71
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-cyclopentyl-4-[(1S)-1-[1-(2-phenylethyl)tetrazol-5-yl]pentyl]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-cyclopentyl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine
CID 7391504
1-cyclohexyl-4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]pentyl]piperazine
CID 5009676
1-cyclopentyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
CID 3210504
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)pentyl]-4-cyclopentylpiperazine
CID 7383612
1-[(R)-(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine
CID 1449106
1-cyclohexyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine
CID 3213458
1-methyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine
CID 3210459
1-[(1S)-3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]-4-[(1R)-3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine
CID 98111409
1-cyclohexyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]pentyl]piperazine
CID 5011336
1-cyclopentyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]pentyl]piperazine
CID 3209073
1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclohexylpiperazine;deuteriomethane
CID 167662608
1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine
CID 1448978

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[(1S)-1-[1-(2-phenylethyl)tetrazol-5-yl]pentyl]piperazine?
The IUPAC name of 1-cyclopentyl-4-[(1S)-1-[1-(2-phenylethyl)tetrazol-5-yl]pentyl]piperazine (CID 7397380) is 1-cyclopentyl-4-[(1S)-1-[1-(2-phenylethyl)tetrazol-5-yl]pentyl]piperazine.
What is the SMILES notation for 1-cyclopentyl-4-[(1S)-1-[1-(2-phenylethyl)tetrazol-5-yl]pentyl]piperazine?
The canonical SMILES for 1-cyclopentyl-4-[(1S)-1-[1-(2-phenylethyl)tetrazol-5-yl]pentyl]piperazine is CCCC[C@@H](c1nnnn1CCc1ccccc1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-4-[(1S)-1-[1-(2-phenylethyl)tetrazol-5-yl]pentyl]piperazine?
The InChIKey is UBVNPEANJCLKBS-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H36N6/c1-2-3-13-22(28-18-16-27(17-19-28)21-11-7-8-12-21)23-24-25-26-29(23)15-14-20-9-5-4-6-10-20/h4-6,9-10,21-22H,2-3,7-8,11-19H2,1H3/t22-/m0/s1.
What are the key properties of 1-cyclopentyl-4-[(1S)-1-[1-(2-phenylethyl)tetrazol-5-yl]pentyl]piperazine?
1-cyclopentyl-4-[(1S)-1-[1-(2-phenylethyl)tetrazol-5-yl]pentyl]piperazine has a molecular weight of 396.58 g/mol, XLogP of 3.71, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[(1S)-1-[1-(2-phenylethyl)tetrazol-5-yl]pentyl]piperazine is sourced from PubChem (CID 7397380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).