1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-cyclopentylpiperazine

C24H29ClN6 — CID 3209706

IUPAC1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-cyclopentylpiperazine
SMILESClc1ccc(C(c2nnnn2Cc2ccccc2)N2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C24H29ClN6/c25-21-12-10-20(11-13-21)23(30-16-14-29(15-17-30)22-8-4-5-9-22)24-26-27-28-31(24)18-19-6-2-1-3-7-19/h1-3,6-7,10-13,22-23H,4-5,8-9,14-18H2
InChIKeyLCOUTTHPRKRXBV-UHFFFAOYSA-N
MW436.99 g/mol
LogP4.02
Rot. Bonds6

About 1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-cyclopentylpiperazine

1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-cyclopentylpiperazine (PubChem CID 3209706) has the molecular formula C24H29ClN6 and a molecular weight of 436.99 g/mol. Its IUPAC name is 1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-cyclopentylpiperazine.

Molecular Properties

Compound Name1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-cyclopentylpiperazine
PubChem CID3209706
Molecular FormulaC24H29ClN6
Molecular Weight436.99 g/mol
Exact Mass436.21
IUPAC Name1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-cyclopentylpiperazine
SMILESClc1ccc(C(c2nnnn2Cc2ccccc2)N2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C24H29ClN6/c25-21-12-10-20(11-13-21)23(30-16-14-29(15-17-30)22-8-4-5-9-22)24-26-27-28-31(24)18-19-6-2-1-3-7-19/h1-3,6-7,10-13,22-23H,4-5,8-9,14-18H2
InChIKeyLCOUTTHPRKRXBV-UHFFFAOYSA-N
XLogP4.02
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.99
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-cyclopentylpiperazine 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-[(R)-(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine
CID 1449106
1-[(1-benzyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-cyclohexylpiperazine
CID 3209694
1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclopentylpiperazine
CID 3209716
1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclohexylpiperazine;deuteriomethane
CID 167662608
1-[(S)-(1-benzyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-cyclohexylpiperazine
CID 1446271
1-[(S)-(4-chlorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]-4-cyclohexylpiperazine
CID 1448484
1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine
CID 1443494
5-[(1-benzyltetrazol-5-yl)-(4-cyclobutyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine
CID 68947289
1-cyclopentyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
CID 3210504
1-[(S)-(4-chlorophenyl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-4-cyclopentylpiperazine
CID 1445861
1-cyclobutyl-4-[(4-fluorophenyl)-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]methyl]-1,4-diazepane
CID 68943443
1-cyclohexyl-4-[(4-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine
CID 3209976

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-cyclopentylpiperazine?
The IUPAC name of 1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-cyclopentylpiperazine (CID 3209706) is 1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-cyclopentylpiperazine.
What is the SMILES notation for 1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-cyclopentylpiperazine?
The canonical SMILES for 1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-cyclopentylpiperazine is Clc1ccc(C(c2nnnn2Cc2ccccc2)N2CCN(C3CCCC3)CC2)cc1.
What is the InChIKey of 1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-cyclopentylpiperazine?
The InChIKey is LCOUTTHPRKRXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN6/c25-21-12-10-20(11-13-21)23(30-16-14-29(15-17-30)22-8-4-5-9-22)24-26-27-28-31(24)18-19-6-2-1-3-7-19/h1-3,6-7,10-13,22-23H,4-5,8-9,14-18H2.
What are the key properties of 1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-cyclopentylpiperazine?
1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-cyclopentylpiperazine has a molecular weight of 436.99 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-cyclopentylpiperazine is sourced from PubChem (CID 3209706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).