[4-[1-(1-cyclopentyltetrazol-5-yl)butyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride

C19H29ClN6O2 — CID 6603459

IUPAC[4-[1-(1-cyclopentyltetrazol-5-yl)butyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride
SMILESCCCC(c1nnnn1C1CCCC1)N1CCN(C(=O)c2ccco2)CC1.Cl
InChIInChI=1S/C19H28N6O2.ClH/c1-2-6-16(18-20-21-22-25(18)15-7-3-4-8-15)23-10-12-24(13-11-23)19(26)17-9-5-14-27-17;/h5,9,14-16H,2-4,6-8,10-13H2,1H3;1H
InChIKeyGZWTXKQVEFGEGV-UHFFFAOYSA-N
MW408.93 g/mol
LogP3.10
Rot. Bonds6

About [4-[1-(1-cyclopentyltetrazol-5-yl)butyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride

[4-[1-(1-cyclopentyltetrazol-5-yl)butyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride (PubChem CID 6603459) has the molecular formula C19H29ClN6O2 and a molecular weight of 408.93 g/mol. Its IUPAC name is [4-[1-(1-cyclopentyltetrazol-5-yl)butyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-[1-(1-cyclopentyltetrazol-5-yl)butyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride
PubChem CID6603459
Molecular FormulaC19H29ClN6O2
Molecular Weight408.93 g/mol
Exact Mass408.20
IUPAC Name[4-[1-(1-cyclopentyltetrazol-5-yl)butyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride
SMILESCCCC(c1nnnn1C1CCCC1)N1CCN(C(=O)c2ccco2)CC1.Cl
InChIInChI=1S/C19H28N6O2.ClH/c1-2-6-16(18-20-21-22-25(18)15-7-3-4-8-15)23-10-12-24(13-11-23)19(26)17-9-5-14-27-17;/h5,9,14-16H,2-4,6-8,10-13H2,1H3;1H
InChIKeyGZWTXKQVEFGEGV-UHFFFAOYSA-N
XLogP3.10
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(1-cyclopentyltetrazol-5-yl)butyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride?
The IUPAC name of [4-[1-(1-cyclopentyltetrazol-5-yl)butyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride (CID 6603459) is [4-[1-(1-cyclopentyltetrazol-5-yl)butyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride.
What is the SMILES notation for [4-[1-(1-cyclopentyltetrazol-5-yl)butyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride?
The canonical SMILES for [4-[1-(1-cyclopentyltetrazol-5-yl)butyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride is CCCC(c1nnnn1C1CCCC1)N1CCN(C(=O)c2ccco2)CC1.Cl.
What is the InChIKey of [4-[1-(1-cyclopentyltetrazol-5-yl)butyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride?
The InChIKey is GZWTXKQVEFGEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2.ClH/c1-2-6-16(18-20-21-22-25(18)15-7-3-4-8-15)23-10-12-24(13-11-23)19(26)17-9-5-14-27-17;/h5,9,14-16H,2-4,6-8,10-13H2,1H3;1H.
What are the key properties of [4-[1-(1-cyclopentyltetrazol-5-yl)butyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride?
[4-[1-(1-cyclopentyltetrazol-5-yl)butyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride has a molecular weight of 408.93 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(1-cyclopentyltetrazol-5-yl)butyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride is sourced from PubChem (CID 6603459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).