1-[(R)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(furan-2-ylmethyl)piperazine-1,4-diium

C20H28N6OS+2 — CID 7141025

IUPAC1-[(R)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(furan-2-ylmethyl)piperazine-1,4-diium
SMILESc1coc(C[NH+]2CC[NH+]([C@@H](c3cccs3)c3nnnn3C3CCCC3)CC2)c1
InChIInChI=1S/C20H26N6OS/c1-2-6-16(5-1)26-20(21-22-23-26)19(18-8-4-14-28-18)25-11-9-24(10-12-25)15-17-7-3-13-27-17/h3-4,7-8,13-14,16,19H,1-2,5-6,9-12,15H2/p+2/t19-/m0/s1
InChIKeyKJGLVQDIKAJMOM-IBGZPJMESA-P
MW400.55 g/mol
LogP0.52
Rot. Bonds6

About 1-[(R)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(furan-2-ylmethyl)piperazine-1,4-diium

1-[(R)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(furan-2-ylmethyl)piperazine-1,4-diium (PubChem CID 7141025) has the molecular formula C20H28N6OS+2 and a molecular weight of 400.55 g/mol. Its IUPAC name is 1-[(R)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(furan-2-ylmethyl)piperazine-1,4-diium.

Molecular Properties

Compound Name1-[(R)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(furan-2-ylmethyl)piperazine-1,4-diium
PubChem CID7141025
Molecular FormulaC20H28N6OS+2
Molecular Weight400.55 g/mol
Exact Mass400.20
IUPAC Name1-[(R)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(furan-2-ylmethyl)piperazine-1,4-diium
SMILESc1coc(C[NH+]2CC[NH+]([C@@H](c3cccs3)c3nnnn3C3CCCC3)CC2)c1
InChIInChI=1S/C20H26N6OS/c1-2-6-16(5-1)26-20(21-22-23-26)19(18-8-4-14-28-18)25-11-9-24(10-12-25)15-17-7-3-13-27-17/h3-4,7-8,13-14,16,19H,1-2,5-6,9-12,15H2/p+2/t19-/m0/s1
InChIKeyKJGLVQDIKAJMOM-IBGZPJMESA-P
XLogP0.52
TPSA65.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(R)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(furan-2-ylmethyl)piperazine-1,4-diium with MolForge

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Related Compounds

4-[(R)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholin-4-ium
CID 7140874
2-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-2-azoniaspiro[5.5]undecane
CID 7140523
4-[4-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazin-4-ium-1-yl]phenol
CID 7140482
1-benzyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperazine-1,4-diium
CID 7383831
4-[(S)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine
CID 1438561
1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine-1,4-diium
CID 7383044
1-benzhydryl-4-[(1-cyclopentyltetrazol-5-yl)methyl]piperazine-1,4-diium
CID 7221369
4-[(R)-(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholin-4-ium
CID 6985832
1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidin-1-ium
CID 7382841
benzyl-[(R)-(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]-(furan-2-ylmethyl)azanium
CID 6985898
1-(1-cyclopentyltetrazol-5-yl)-3-phenyl-1,2-dithiophen-2-ylpropan-2-amine
CID 21156850
1-[(S)-(2-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-prop-2-enylpiperazine-1,4-diium
CID 7383925

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(furan-2-ylmethyl)piperazine-1,4-diium?
The IUPAC name of 1-[(R)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(furan-2-ylmethyl)piperazine-1,4-diium (CID 7141025) is 1-[(R)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(furan-2-ylmethyl)piperazine-1,4-diium.
What is the SMILES notation for 1-[(R)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(furan-2-ylmethyl)piperazine-1,4-diium?
The canonical SMILES for 1-[(R)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(furan-2-ylmethyl)piperazine-1,4-diium is c1coc(C[NH+]2CC[NH+]([C@@H](c3cccs3)c3nnnn3C3CCCC3)CC2)c1.
What is the InChIKey of 1-[(R)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(furan-2-ylmethyl)piperazine-1,4-diium?
The InChIKey is KJGLVQDIKAJMOM-IBGZPJMESA-P. The full InChI is InChI=1S/C20H26N6OS/c1-2-6-16(5-1)26-20(21-22-23-26)19(18-8-4-14-28-18)25-11-9-24(10-12-25)15-17-7-3-13-27-17/h3-4,7-8,13-14,16,19H,1-2,5-6,9-12,15H2/p+2/t19-/m0/s1.
What are the key properties of 1-[(R)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(furan-2-ylmethyl)piperazine-1,4-diium?
1-[(R)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(furan-2-ylmethyl)piperazine-1,4-diium has a molecular weight of 400.55 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(furan-2-ylmethyl)piperazine-1,4-diium is sourced from PubChem (CID 7141025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).