1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine

C23H28FN7 — CID 1443464

IUPAC1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine
SMILESFc1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(Cc3cccnc3)CC2)cc1
InChIInChI=1S/C23H28FN7/c24-20-9-7-19(8-10-20)22(23-26-27-28-31(23)21-5-1-2-6-21)30-14-12-29(13-15-30)17-18-4-3-11-25-16-18/h3-4,7-11,16,21-22H,1-2,5-6,12-15,17H2/t22-/m1/s1
InChIKeyWKSWBHWAKPJCFR-JOCHJYFZSA-N
MW421.52 g/mol
LogP3.23
Rot. Bonds6

About 1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine

1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine (PubChem CID 1443464) has the molecular formula C23H28FN7 and a molecular weight of 421.52 g/mol. Its IUPAC name is 1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine
PubChem CID1443464
Molecular FormulaC23H28FN7
Molecular Weight421.52 g/mol
Exact Mass421.24
IUPAC Name1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine
SMILESFc1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(Cc3cccnc3)CC2)cc1
InChIInChI=1S/C23H28FN7/c24-20-9-7-19(8-10-20)22(23-26-27-28-31(23)21-5-1-2-6-21)30-14-12-29(13-15-30)17-18-4-3-11-25-16-18/h3-4,7-11,16,21-22H,1-2,5-6,12-15,17H2/t22-/m1/s1
InChIKeyWKSWBHWAKPJCFR-JOCHJYFZSA-N
XLogP3.23
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-benzyl-4-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperazine
CID 1443040
1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 6603045
1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 1443491
1-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-ethylpiperazine;hydrochloride
CID 171668115
1-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 3208596
1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidine
CID 3173834
3-[(S)-(1-cyclopentyltetrazol-5-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 28607740
3-[(R)-(1-cyclopentyltetrazol-5-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 28607736
1-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-prop-2-enylpiperazine;hydrochloride
CID 171668116
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 1443443
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 92764820
1-benzyl-4-[(1-cyclopentyltetrazol-5-yl)-(2-fluorophenyl)methyl]piperazine
CID 3208818

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine?
The IUPAC name of 1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine (CID 1443464) is 1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine.
What is the SMILES notation for 1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine?
The canonical SMILES for 1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine is Fc1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(Cc3cccnc3)CC2)cc1.
What is the InChIKey of 1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine?
The InChIKey is WKSWBHWAKPJCFR-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H28FN7/c24-20-9-7-19(8-10-20)22(23-26-27-28-31(23)21-5-1-2-6-21)30-14-12-29(13-15-30)17-18-4-3-11-25-16-18/h3-4,7-11,16,21-22H,1-2,5-6,12-15,17H2/t22-/m1/s1.
What are the key properties of 1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine?
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine has a molecular weight of 421.52 g/mol, XLogP of 3.23, 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-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine is sourced from PubChem (CID 1443464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).