1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine

C23H28N6 — CID 3208717

IUPAC1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine
SMILESc1ccc(C(c2nnnn2C2CCCC2)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N6/c1-3-9-19(10-4-1)22(23-24-25-26-29(23)21-13-7-8-14-21)28-17-15-27(16-18-28)20-11-5-2-6-12-20/h1-6,9-12,21-22H,7-8,13-18H2
InChIKeyBCEMHADMTHMVGL-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.70
Rot. Bonds5

About 1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine

1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine (PubChem CID 3208717) has the molecular formula C23H28N6 and a molecular weight of 388.52 g/mol. Its IUPAC name is 1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine
PubChem CID3208717
Molecular FormulaC23H28N6
Molecular Weight388.52 g/mol
Exact Mass388.24
IUPAC Name1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine
SMILESc1ccc(C(c2nnnn2C2CCCC2)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N6/c1-3-9-19(10-4-1)22(23-24-25-26-29(23)21-13-7-8-14-21)28-17-15-27(16-18-28)20-11-5-2-6-12-20/h1-6,9-12,21-22H,7-8,13-18H2
InChIKeyBCEMHADMTHMVGL-UHFFFAOYSA-N
XLogP3.70
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine 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-((1-benzyl-1H-tetrazol-5-yl)(4-(4-methylpiperazin-1-yl)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44159636
1-[[1-(3-Methylbutyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 1448648
1-(4-Fluorophenyl)-4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazine
CID 1448649
4-(4-((1-benzyl-1H-tetrazol-5-yl)(4-cyclobutyl-1,4-diazepan-1-yl)methyl)phenyl)morpholine
CID 44159519
1-[[5-(4-Tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]-4-phenylpiperazine
CID 154929866
(4-{(4-Cyclohexyl-piperazin-1-yl)-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-methyl}-phenyl)-dimethyl-amine
CID 646036
3-{[4-(2,3-Dimethyl-phenyl)-piperazin-1-yl]-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-methyl}-benzonitrile
CID 646213
1-[1-(1-Cyclopentyl-5-tetrazolyl)-2-methylpropyl]-4-(2-fluorophenyl)piperazine
CID 647539
1-[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-propyl]-4-phenyl-piperazine
CID 647993
4-[(1-Cyclohexyl-1H-tetrazol-5-yl)-(4-pyrrolidin-1-yl-phenyl)-methyl]-morpholine
CID 648818
1-(5-Chloro-2-methyl-phenyl)-4-(1-cyclohexyl-1H-tetrazol-5-ylmethyl)-piperazine
CID 649196
3-{[4-(2,5-Dimethyl-phenyl)-piperazin-1-yl]-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-methyl}-benzonitrile
CID 649376

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine?
The IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine (CID 3208717) is 1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine is c1ccc(C(c2nnnn2C2CCCC2)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine?
The InChIKey is BCEMHADMTHMVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6/c1-3-9-19(10-4-1)22(23-24-25-26-29(23)21-13-7-8-14-21)28-17-15-27(16-18-28)20-11-5-2-6-12-20/h1-6,9-12,21-22H,7-8,13-18H2.
What are the key properties of 1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine?
1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine has a molecular weight of 388.52 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine is sourced from PubChem (CID 3208717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).