furan-2-yl-[4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone

C18H28N6O2 — CID 1448621

IUPACfuran-2-yl-[4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone
SMILESCC[C@@H](c1nnnn1CCC(C)C)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H28N6O2/c1-4-15(17-19-20-21-24(17)8-7-14(2)3)22-9-11-23(12-10-22)18(25)16-6-5-13-26-16/h5-6,13-15H,4,7-12H2,1-3H3/t15-/m0/s1
InChIKeyGGVWANAXTWWCRQ-HNNXBMFYSA-N
MW360.46 g/mol
LogP2.22
Rot. Bonds7

About furan-2-yl-[4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone

furan-2-yl-[4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone (PubChem CID 1448621) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is furan-2-yl-[4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone
PubChem CID1448621
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC Namefuran-2-yl-[4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone
SMILESCC[C@@H](c1nnnn1CCC(C)C)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H28N6O2/c1-4-15(17-19-20-21-24(17)8-7-14(2)3)22-9-11-23(12-10-22)18(25)16-6-5-13-26-16/h5-6,13-15H,4,7-12H2,1-3H3/t15-/m0/s1
InChIKeyGGVWANAXTWWCRQ-HNNXBMFYSA-N
XLogP2.22
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

furan-2-yl-[4-[(1R)-2-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone
CID 1448633
[4-[(1S)-1-(1-benzyltetrazol-5-yl)propyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 1445983
furan-2-yl-[4-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazin-1-yl]methanone
CID 7391486
furan-2-yl-[4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazin-1-yl]methanone
CID 644981
[4-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 7396290
furan-2-yl-[4-[(1S)-3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]piperazin-1-yl]methanone
CID 7391736
[4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 3209780
[4-[(1S)-1-(1-tert-butyltetrazol-5-yl)-3-methylbutyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 1443764
furan-2-yl-[4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazin-1-yl]methanone
CID 1446743
furan-2-yl-[4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazin-1-yl]methanone
CID 1446745
furan-2-yl-[4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazin-1-yl]methanone;hydrochloride
CID 24792463
furan-2-yl-[4-[3-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]butyl]piperazin-1-yl]methanone
CID 645825

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone (CID 1448621) is furan-2-yl-[4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone is CC[C@@H](c1nnnn1CCC(C)C)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of furan-2-yl-[4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone?
The InChIKey is GGVWANAXTWWCRQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N6O2/c1-4-15(17-19-20-21-24(17)8-7-14(2)3)22-9-11-23(12-10-22)18(25)16-6-5-13-26-16/h5-6,13-15H,4,7-12H2,1-3H3/t15-/m0/s1.
What are the key properties of furan-2-yl-[4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone has a molecular weight of 360.46 g/mol, XLogP of 2.22, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone is sourced from PubChem (CID 1448621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).