furan-2-yl-[4-[(2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-yl]piperazin-1-yl]methanone

C21H26N6O3 — CID 94086673

IUPACfuran-2-yl-[4-[(2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-yl]piperazin-1-yl]methanone
SMILESCC[C@@](C)(c1nnnn1-c1ccc(OC)cc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H26N6O3/c1-4-21(2,20-22-23-24-27(20)16-7-9-17(29-3)10-8-16)26-13-11-25(12-14-26)19(28)18-6-5-15-30-18/h5-10,15H,4,11-14H2,1-3H3/t21-/m0/s1
InChIKeyZHDKJZLSJKENMC-NRFANRHFSA-N
MW410.48 g/mol
LogP2.35
Rot. Bonds6

About furan-2-yl-[4-[(2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-yl]piperazin-1-yl]methanone

furan-2-yl-[4-[(2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-yl]piperazin-1-yl]methanone (PubChem CID 94086673) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is furan-2-yl-[4-[(2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[(2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-yl]piperazin-1-yl]methanone
PubChem CID94086673
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC Namefuran-2-yl-[4-[(2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-yl]piperazin-1-yl]methanone
SMILESCC[C@@](C)(c1nnnn1-c1ccc(OC)cc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H26N6O3/c1-4-21(2,20-22-23-24-27(20)16-7-9-17(29-3)10-8-16)26-13-11-25(12-14-26)19(28)18-6-5-15-30-18/h5-10,15H,4,11-14H2,1-3H3/t21-/m0/s1
InChIKeyZHDKJZLSJKENMC-NRFANRHFSA-N
XLogP2.35
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[4-[(2S)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]butan-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 94086641
furan-2-yl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 648203
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
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 108502696
furan-2-yl-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 56810704
furan-2-yl-[4-[(1S)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone
CID 1444298
(2-fluoro-4-methoxyphenyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 38910645
(2S)-N-benzyl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-amine
CID 51697961
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]-3-oxopropanamide
CID 108948773
[4-[(1S)-1-(1-tert-butyltetrazol-5-yl)-3-methylbutyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 1443764
2-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 5023671

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[(2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-yl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[(2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-yl]piperazin-1-yl]methanone (CID 94086673) is furan-2-yl-[4-[(2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[(2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[(2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-yl]piperazin-1-yl]methanone is CC[C@@](C)(c1nnnn1-c1ccc(OC)cc1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of furan-2-yl-[4-[(2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-yl]piperazin-1-yl]methanone?
The InChIKey is ZHDKJZLSJKENMC-NRFANRHFSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-4-21(2,20-22-23-24-27(20)16-7-9-17(29-3)10-8-16)26-13-11-25(12-14-26)19(28)18-6-5-15-30-18/h5-10,15H,4,11-14H2,1-3H3/t21-/m0/s1.
What are the key properties of furan-2-yl-[4-[(2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-yl]piperazin-1-yl]methanone?
furan-2-yl-[4-[(2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-yl]piperazin-1-yl]methanone has a molecular weight of 410.48 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[(2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 94086673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).