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

C20H30N6O2 — CID 3208538

IUPAC[4-[1-(1-cyclohexyltetrazol-5-yl)butyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCCC(c1nnnn1C1CCCCC1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H30N6O2/c1-2-7-17(19-21-22-23-26(19)16-8-4-3-5-9-16)24-11-13-25(14-12-24)20(27)18-10-6-15-28-18/h6,10,15-17H,2-5,7-9,11-14H2,1H3
InChIKeyCMDUPELKYFELQB-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.07
Rot. Bonds6

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

[4-[1-(1-cyclohexyltetrazol-5-yl)butyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 3208538) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is [4-[1-(1-cyclohexyltetrazol-5-yl)butyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[1-(1-cyclohexyltetrazol-5-yl)butyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID3208538
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC Name[4-[1-(1-cyclohexyltetrazol-5-yl)butyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCCC(c1nnnn1C1CCCCC1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H30N6O2/c1-2-7-17(19-21-22-23-26(19)16-8-4-3-5-9-16)24-11-13-25(14-12-24)20(27)18-10-6-15-28-18/h6,10,15-17H,2-5,7-9,11-14H2,1H3
InChIKeyCMDUPELKYFELQB-UHFFFAOYSA-N
XLogP3.07
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

{4-[1-(1-Cyclohexyl-1H-tetrazol-5-yl)-butyl]-piperazin-1-yl}-furan-2-yl-methanone
CID 24792460
1-[4-(2-Furylcarbonyl)piperazinyl]-2-(1-methyl(1,2,3,4-tetraazol-5-ylthio))eth an-1-one
CID 1081022
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]furan-2-carboxamide
CID 6499832
Furan-2-carboxylic acid [2-(3,5-dimethyl-[1,2,4]triazol-1-yl)-ethyl]-amide
CID 6499844
1-Cyclopentyl-4-[1-(1-furan-2-ylmethyl-1H-tetrazol-5-yl)-butyl]-piperazine
CID 644666
Furan-2-yl-(4-{[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-p-tolyl-methyl}-piperazin-1-yl)-methanone
CID 648836
{4-[(1-Cyclohexyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-piperazin-1-yl}-furan-2-yl-methanone
CID 650097
Furan-2-yl-{4-[3-methyl-1-(1-phenethyl-1H-tetrazol-5-yl)-butyl]-piperazin-1-yl}-methanone
CID 650696
(4-{1-[1-(4-Fluoro-benzyl)-1H-tetrazol-5-yl]-2-methyl-propyl}-piperazin-1-yl)-furan-2-yl-methanone
CID 651772
(4-{(4-Chloro-phenyl)-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-methyl}-piperazin-1-yl)-furan-2-yl-methanone
CID 655364
(4-{(4-Dimethylamino-phenyl)-[1-(3-methyl-butyl)-1H-tetrazol-5-yl]-methyl}-piperazin-1-yl)-furan-2-yl-methanone
CID 655528
(4-{(4-Fluoro-phenyl)-[1-(3-methyl-butyl)-1H-tetrazol-5-yl]-methyl}-piperazin-1-yl)-furan-2-yl-methanone
CID 655575

Frequently Asked Questions

What is the IUPAC name of [4-[1-(1-cyclohexyltetrazol-5-yl)butyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[1-(1-cyclohexyltetrazol-5-yl)butyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 3208538) is [4-[1-(1-cyclohexyltetrazol-5-yl)butyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[1-(1-cyclohexyltetrazol-5-yl)butyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[1-(1-cyclohexyltetrazol-5-yl)butyl]piperazin-1-yl]-(furan-2-yl)methanone is CCCC(c1nnnn1C1CCCCC1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [4-[1-(1-cyclohexyltetrazol-5-yl)butyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is CMDUPELKYFELQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2/c1-2-7-17(19-21-22-23-26(19)16-8-4-3-5-9-16)24-11-13-25(14-12-24)20(27)18-10-6-15-28-18/h6,10,15-17H,2-5,7-9,11-14H2,1H3.
What are the key properties of [4-[1-(1-cyclohexyltetrazol-5-yl)butyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[1-(1-cyclohexyltetrazol-5-yl)butyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 386.50 g/mol, XLogP of 3.07, 6 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)butyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 3208538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).