1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(2,5-dimethylphenyl)piperazine

C26H34N6O — CID 1443517

IUPAC1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(2,5-dimethylphenyl)piperazine
SMILESCOc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(c3cc(C)ccc3C)CC2)cc1
InChIInChI=1S/C26H34N6O/c1-19-8-9-20(2)24(18-19)30-14-16-31(17-15-30)25(21-10-12-23(33-3)13-11-21)26-27-28-29-32(26)22-6-4-5-7-22/h8-13,18,22,25H,4-7,14-17H2,1-3H3/t25-/m0/s1
InChIKeyCDLPEBOJCZODLJ-VWLOTQADSA-N
MW446.60 g/mol
LogP4.33
Rot. Bonds6

About 1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(2,5-dimethylphenyl)piperazine

1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(2,5-dimethylphenyl)piperazine (PubChem CID 1443517) has the molecular formula C26H34N6O and a molecular weight of 446.60 g/mol. Its IUPAC name is 1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(2,5-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(2,5-dimethylphenyl)piperazine
PubChem CID1443517
Molecular FormulaC26H34N6O
Molecular Weight446.60 g/mol
Exact Mass446.28
IUPAC Name1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(2,5-dimethylphenyl)piperazine
SMILESCOc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(c3cc(C)ccc3C)CC2)cc1
InChIInChI=1S/C26H34N6O/c1-19-8-9-20(2)24(18-19)30-14-16-31(17-15-30)25(21-10-12-23(33-3)13-11-21)26-27-28-29-32(26)22-6-4-5-7-22/h8-13,18,22,25H,4-7,14-17H2,1-3H3/t25-/m0/s1
InChIKeyCDLPEBOJCZODLJ-VWLOTQADSA-N
XLogP4.33
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,5-dimethylphenyl)piperazine
CID 1443349
3-[(R)-(1-cyclohexyltetrazol-5-yl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one
CID 28604693
1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperazine
CID 3777246
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 1443400
1-(2,5-dimethylphenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine
CID 43812267
1-(2,5-dimethylphenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171668291
3-[(S)-(1-cyclopentyltetrazol-5-yl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-6-ethoxy-1H-quinolin-2-one
CID 6551215
3-[(S)-(1-cyclohexyltetrazol-5-yl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-6-methyl-1H-quinolin-2-one
CID 1156955
3-[(S)-(1-cyclopentyltetrazol-5-yl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-8-methyl-1H-quinolin-2-one
CID 1158436
3-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(1-cyclopentyltetrazol-5-yl)methyl]-7-methoxy-1H-quinolin-2-one
CID 3183305
3-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(1-cyclohexyltetrazol-5-yl)methyl]-6-methoxy-1H-quinolin-2-one
CID 3183208
3-[(1-cyclopentyltetrazol-5-yl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 3183072

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(2,5-dimethylphenyl)piperazine?
The IUPAC name of 1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(2,5-dimethylphenyl)piperazine (CID 1443517) is 1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(2,5-dimethylphenyl)piperazine.
What is the SMILES notation for 1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(2,5-dimethylphenyl)piperazine?
The canonical SMILES for 1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(2,5-dimethylphenyl)piperazine is COc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(c3cc(C)ccc3C)CC2)cc1.
What is the InChIKey of 1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(2,5-dimethylphenyl)piperazine?
The InChIKey is CDLPEBOJCZODLJ-VWLOTQADSA-N. The full InChI is InChI=1S/C26H34N6O/c1-19-8-9-20(2)24(18-19)30-14-16-31(17-15-30)25(21-10-12-23(33-3)13-11-21)26-27-28-29-32(26)22-6-4-5-7-22/h8-13,18,22,25H,4-7,14-17H2,1-3H3/t25-/m0/s1.
What are the key properties of 1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(2,5-dimethylphenyl)piperazine?
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(2,5-dimethylphenyl)piperazine has a molecular weight of 446.60 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(2,5-dimethylphenyl)piperazine is sourced from PubChem (CID 1443517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).