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

C25H32N6O — CID 3209716

IUPAC1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclopentylpiperazine
SMILESCOc1ccc(C(c2nnnn2Cc2ccccc2)N2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C25H32N6O/c1-32-23-13-11-21(12-14-23)24(30-17-15-29(16-18-30)22-9-5-6-10-22)25-26-27-28-31(25)19-20-7-3-2-4-8-20/h2-4,7-8,11-14,22,24H,5-6,9-10,15-19H2,1H3
InChIKeyQBSMJBZQCJCNIT-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.38
Rot. Bonds7

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

1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclopentylpiperazine (PubChem CID 3209716) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is 1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclopentylpiperazine.

Molecular Properties

Compound Name1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclopentylpiperazine
PubChem CID3209716
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC Name1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclopentylpiperazine
SMILESCOc1ccc(C(c2nnnn2Cc2ccccc2)N2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C25H32N6O/c1-32-23-13-11-21(12-14-23)24(30-17-15-29(16-18-30)22-9-5-6-10-22)25-26-27-28-31(25)19-20-7-3-2-4-8-20/h2-4,7-8,11-14,22,24H,5-6,9-10,15-19H2,1H3
InChIKeyQBSMJBZQCJCNIT-UHFFFAOYSA-N
XLogP3.38
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(S)-(1-benzyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-cyclohexylpiperazine
CID 1446271
1-cyclohexyl-4-[(4-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine
CID 3209976
1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-cyclopentylpiperazine
CID 3209706
1-[(1-benzyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-cyclohexylpiperazine
CID 3209694
1-benzyl-4-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]piperazine
CID 1446262
1-cyclopentyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine
CID 3209334
1-[(R)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-phenylpiperazine
CID 1446248
1-[(R)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine
CID 1446260
1-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-ethylpiperazine
CID 7396387
3-[(1-benzyltetrazol-5-yl)-(4-cyclohexylpiperazin-1-yl)methyl]-7-methoxy-1H-quinolin-2-one
CID 3183279
3-[(R)-(1-benzyltetrazol-5-yl)-(4-cyclohexylpiperazin-1-yl)methyl]-7-methoxy-1H-quinolin-2-one
CID 1159858
1-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine
CID 1433889

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclopentylpiperazine?
The IUPAC name of 1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclopentylpiperazine (CID 3209716) is 1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclopentylpiperazine.
What is the SMILES notation for 1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclopentylpiperazine?
The canonical SMILES for 1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclopentylpiperazine is COc1ccc(C(c2nnnn2Cc2ccccc2)N2CCN(C3CCCC3)CC2)cc1.
What is the InChIKey of 1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclopentylpiperazine?
The InChIKey is QBSMJBZQCJCNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O/c1-32-23-13-11-21(12-14-23)24(30-17-15-29(16-18-30)22-9-5-6-10-22)25-26-27-28-31(25)19-20-7-3-2-4-8-20/h2-4,7-8,11-14,22,24H,5-6,9-10,15-19H2,1H3.
What are the key properties of 1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclopentylpiperazine?
1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclopentylpiperazine has a molecular weight of 432.57 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclopentylpiperazine is sourced from PubChem (CID 3209716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).