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

C19H30N6O2 — CID 1448633

IUPACfuran-2-yl-[4-[(1R)-2-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone
SMILESCC(C)CCn1nnnc1[C@@H](C(C)C)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H30N6O2/c1-14(2)7-8-25-18(20-21-22-25)17(15(3)4)23-9-11-24(12-10-23)19(26)16-6-5-13-27-16/h5-6,13-15,17H,7-12H2,1-4H3/t17-/m1/s1
InChIKeyBAFVLNXCYLXBBZ-QGZVFWFLSA-N
MW374.49 g/mol
LogP2.47
Rot. Bonds7

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

furan-2-yl-[4-[(1R)-2-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone (PubChem CID 1448633) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is furan-2-yl-[4-[(1R)-2-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[(1R)-2-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone
PubChem CID1448633
Molecular FormulaC19H30N6O2
Molecular Weight374.49 g/mol
Exact Mass374.24
IUPAC Namefuran-2-yl-[4-[(1R)-2-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone
SMILESCC(C)CCn1nnnc1[C@@H](C(C)C)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H30N6O2/c1-14(2)7-8-25-18(20-21-22-25)17(15(3)4)23-9-11-24(12-10-23)19(26)16-6-5-13-27-16/h5-6,13-15,17H,7-12H2,1-4H3/t17-/m1/s1
InChIKeyBAFVLNXCYLXBBZ-QGZVFWFLSA-N
XLogP2.47
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze furan-2-yl-[4-[(1R)-2-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

furan-2-yl-[4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone
CID 1448621
[4-[(1R)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 1431058
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
furan-2-yl-[4-[(1S)-3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]piperazin-1-yl]methanone
CID 7391736
[4-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride
CID 24792379
furan-2-yl-[4-[(S)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 1449069
furan-2-yl-[4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 3210500
furan-2-yl-[4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-quinolin-6-ylmethyl]piperazin-1-yl]methanone
CID 25413074
[4-[(1S)-1-(1-tert-butyltetrazol-5-yl)-3-methylbutyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 1443764
[4-[(1S)-1-(1-benzyltetrazol-5-yl)propyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 1445983
[4-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 7396290

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[(1R)-2-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[(1R)-2-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone (CID 1448633) is furan-2-yl-[4-[(1R)-2-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[(1R)-2-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[(1R)-2-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone is CC(C)CCn1nnnc1[C@@H](C(C)C)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of furan-2-yl-[4-[(1R)-2-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone?
The InChIKey is BAFVLNXCYLXBBZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H30N6O2/c1-14(2)7-8-25-18(20-21-22-25)17(15(3)4)23-9-11-24(12-10-23)19(26)16-6-5-13-27-16/h5-6,13-15,17H,7-12H2,1-4H3/t17-/m1/s1.
What are the key properties of furan-2-yl-[4-[(1R)-2-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[(1R)-2-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone has a molecular weight of 374.49 g/mol, XLogP of 2.47, 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-[(1R)-2-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone is sourced from PubChem (CID 1448633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).