furan-2-yl-[4-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazin-1-yl]methanone

C18H28N6O3 — CID 7391486

IUPACfuran-2-yl-[4-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazin-1-yl]methanone
SMILESCCCC[C@H](c1nnnn1CCOC)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H28N6O3/c1-3-4-6-15(17-19-20-21-24(17)12-14-26-2)22-8-10-23(11-9-22)18(25)16-7-5-13-27-16/h5,7,13,15H,3-4,6,8-12,14H2,1-2H3/t15-/m1/s1
InChIKeyNJDHSEDUKYPWKM-OAHLLOKOSA-N
MW376.46 g/mol
LogP1.60
Rot. Bonds9

About furan-2-yl-[4-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazin-1-yl]methanone

furan-2-yl-[4-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazin-1-yl]methanone (PubChem CID 7391486) has the molecular formula C18H28N6O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is furan-2-yl-[4-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazin-1-yl]methanone
PubChem CID7391486
Molecular FormulaC18H28N6O3
Molecular Weight376.46 g/mol
Exact Mass376.22
IUPAC Namefuran-2-yl-[4-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazin-1-yl]methanone
SMILESCCCC[C@H](c1nnnn1CCOC)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H28N6O3/c1-3-4-6-15(17-19-20-21-24(17)12-14-26-2)22-8-10-23(11-9-22)18(25)16-7-5-13-27-16/h5,7,13,15H,3-4,6,8-12,14H2,1-2H3/t15-/m1/s1
InChIKeyNJDHSEDUKYPWKM-OAHLLOKOSA-N
XLogP1.60
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze furan-2-yl-[4-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

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-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazin-1-yl]methanone;hydrochloride
CID 24792463
furan-2-yl-[4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone
CID 1448621
furan-2-yl-[4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazin-1-yl]methanone
CID 1446745
furan-2-yl-[4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazin-1-yl]methanone
CID 1446743
[4-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride
CID 24792379
[4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 3209780
1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine chloride
CID 53314022
[4-[(1S)-1-(1-benzyltetrazol-5-yl)propyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 1445983
furan-2-yl-[4-[(1R)-2-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone
CID 1448633
furan-2-yl-[4-[(1S)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone
CID 1444298

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazin-1-yl]methanone (CID 7391486) is furan-2-yl-[4-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazin-1-yl]methanone is CCCC[C@H](c1nnnn1CCOC)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of furan-2-yl-[4-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazin-1-yl]methanone?
The InChIKey is NJDHSEDUKYPWKM-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28N6O3/c1-3-4-6-15(17-19-20-21-24(17)12-14-26-2)22-8-10-23(11-9-22)18(25)16-7-5-13-27-16/h5,7,13,15H,3-4,6,8-12,14H2,1-2H3/t15-/m1/s1.
What are the key properties of furan-2-yl-[4-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazin-1-yl]methanone has a molecular weight of 376.46 g/mol, XLogP of 1.60, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazin-1-yl]methanone is sourced from PubChem (CID 7391486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).