[4-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]piperazin-1-yl]-(furan-2-yl)methanone

C22H28N6O2 — CID 7396290

IUPAC[4-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCCC[C@@H](c1nnnn1Cc1ccccc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C22H28N6O2/c1-2-3-10-19(21-23-24-25-28(21)17-18-8-5-4-6-9-18)26-12-14-27(15-13-26)22(29)20-11-7-16-30-20/h4-9,11,16,19H,2-3,10,12-15,17H2,1H3/t19-/m0/s1
InChIKeyPSLJEARVQRZIDN-IBGZPJMESA-N
MW408.51 g/mol
LogP3.00
Rot. Bonds8

About [4-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 7396290) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is [4-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID7396290
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name[4-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCCC[C@@H](c1nnnn1Cc1ccccc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C22H28N6O2/c1-2-3-10-19(21-23-24-25-28(21)17-18-8-5-4-6-9-18)26-12-14-27(15-13-26)22(29)20-11-7-16-30-20/h4-9,11,16,19H,2-3,10,12-15,17H2,1H3/t19-/m0/s1
InChIKeyPSLJEARVQRZIDN-IBGZPJMESA-N
XLogP3.00
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[(1S)-1-(1-benzyltetrazol-5-yl)propyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 1445983
[4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 3209780
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)-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
[4-[(S)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 1446169
furan-2-yl-[4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone
CID 1448621
[4-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 3209704
furan-2-yl-[4-[(1S)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone
CID 1444298
[4-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 3209833

Frequently Asked Questions

What is the IUPAC name of [4-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 7396290) is [4-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]piperazin-1-yl]-(furan-2-yl)methanone is CCCC[C@@H](c1nnnn1Cc1ccccc1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [4-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is PSLJEARVQRZIDN-IBGZPJMESA-N. The full InChI is InChI=1S/C22H28N6O2/c1-2-3-10-19(21-23-24-25-28(21)17-18-8-5-4-6-9-18)26-12-14-27(15-13-26)22(29)20-11-7-16-30-20/h4-9,11,16,19H,2-3,10,12-15,17H2,1H3/t19-/m0/s1.
What are the key properties of [4-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 408.51 g/mol, XLogP of 3.00, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 7396290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).