[4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperazin-1-yl]-(furan-2-yl)methanone

C20H30N6O2 — CID 3193401

IUPAC[4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCC(C)C(c1nnnn1C1CCCCC1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H30N6O2/c1-15(2)18(19-21-22-23-26(19)16-7-4-3-5-8-16)24-10-12-25(13-11-24)20(27)17-9-6-14-28-17/h6,9,14-16,18H,3-5,7-8,10-13H2,1-2H3
InChIKeyYRLNURRTUBIYLQ-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.93
Rot. Bonds5

About [4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 3193401) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is [4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID3193401
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC Name[4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCC(C)C(c1nnnn1C1CCCCC1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H30N6O2/c1-15(2)18(19-21-22-23-26(19)16-7-4-3-5-8-16)24-10-12-25(13-11-24)20(27)17-9-6-14-28-17/h6,9,14-16,18H,3-5,7-8,10-13H2,1-2H3
InChIKeyYRLNURRTUBIYLQ-UHFFFAOYSA-N
XLogP2.93
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 3193401) is [4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperazin-1-yl]-(furan-2-yl)methanone is CC(C)C(c1nnnn1C1CCCCC1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is YRLNURRTUBIYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2/c1-15(2)18(19-21-22-23-26(19)16-7-4-3-5-8-16)24-10-12-25(13-11-24)20(27)17-9-6-14-28-17/h6,9,14-16,18H,3-5,7-8,10-13H2,1-2H3.
What are the key properties of [4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 386.50 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 3193401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).