1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine

C22H25F3N6S — CID 3193437

IUPAC1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(C(c3cccs3)c3nnnn3C3CCCC3)CC2)c1
InChIInChI=1S/C22H25F3N6S/c23-22(24,25)16-5-3-8-18(15-16)29-10-12-30(13-11-29)20(19-9-4-14-32-19)21-26-27-28-31(21)17-6-1-2-7-17/h3-5,8-9,14-15,17,20H,1-2,6-7,10-13H2
InChIKeyJWHGOKFMKWJYOS-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.78
Rot. Bonds5

About 1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine

1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 3193437) has the molecular formula C22H25F3N6S and a molecular weight of 462.55 g/mol. Its IUPAC name is 1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID3193437
Molecular FormulaC22H25F3N6S
Molecular Weight462.55 g/mol
Exact Mass462.18
IUPAC Name1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(C(c3cccs3)c3nnnn3C3CCCC3)CC2)c1
InChIInChI=1S/C22H25F3N6S/c23-22(24,25)16-5-3-8-18(15-16)29-10-12-30(13-11-29)20(19-9-4-14-32-19)21-26-27-28-31(21)17-6-1-2-7-17/h3-5,8-9,14-15,17,20H,1-2,6-7,10-13H2
InChIKeyJWHGOKFMKWJYOS-UHFFFAOYSA-N
XLogP4.78
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-chlorophenyl)-4-[(S)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine
CID 1431474
1-[(S)-(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 1437129
4-[4-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]phenol
CID 1431340
4-[4-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]phenol
CID 3193444
1-[(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3193439
1-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-fluorophenyl)piperazine
CID 1438445
3-[(1-cyclopentyltetrazol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-6-methyl-1H-quinolin-2-one
CID 3182438
4-[(S)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine
CID 1438561
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine
CID 1443350
1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
CID 3193477
1-[(1-cyclopentyltetrazol-5-yl)-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 3229259
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 1443443

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine (CID 3193437) is 1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine is FC(F)(F)c1cccc(N2CCN(C(c3cccs3)c3nnnn3C3CCCC3)CC2)c1.
What is the InChIKey of 1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is JWHGOKFMKWJYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N6S/c23-22(24,25)16-5-3-8-18(15-16)29-10-12-30(13-11-29)20(19-9-4-14-32-19)21-26-27-28-31(21)17-6-1-2-7-17/h3-5,8-9,14-15,17,20H,1-2,6-7,10-13H2.
What are the key properties of 1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 462.55 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 3193437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).