[4-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride

C22H26Cl2N6O3 — CID 6602568

IUPAC[4-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride
SMILESCl.O=C(c1ccco1)N1CCN(C(c2ccccc2Cl)c2nnnn2CC2CCCO2)CC1
InChIInChI=1S/C22H25ClN6O3.ClH/c23-18-7-2-1-6-17(18)20(21-24-25-26-29(21)15-16-5-3-13-31-16)27-9-11-28(12-10-27)22(30)19-8-4-14-32-19;/h1-2,4,6-8,14,16,20H,3,5,9-13,15H2;1H
InChIKeyRCXVCFOUMGZWGS-UHFFFAOYSA-N
MW493.40 g/mol
LogP3.07
Rot. Bonds6

About [4-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride

[4-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride (PubChem CID 6602568) has the molecular formula C22H26Cl2N6O3 and a molecular weight of 493.40 g/mol. Its IUPAC name is [4-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride
PubChem CID6602568
Molecular FormulaC22H26Cl2N6O3
Molecular Weight493.40 g/mol
Exact Mass492.14
IUPAC Name[4-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride
SMILESCl.O=C(c1ccco1)N1CCN(C(c2ccccc2Cl)c2nnnn2CC2CCCO2)CC1
InChIInChI=1S/C22H25ClN6O3.ClH/c23-18-7-2-1-6-17(18)20(21-24-25-26-29(21)15-16-5-3-13-31-16)27-9-11-28(12-10-27)22(30)19-8-4-14-32-19;/h1-2,4,6-8,14,16,20H,3,5,9-13,15H2;1H
InChIKeyRCXVCFOUMGZWGS-UHFFFAOYSA-N
XLogP3.07
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.40
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [4-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride?
The IUPAC name of [4-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride (CID 6602568) is [4-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride.
What is the SMILES notation for [4-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride?
The canonical SMILES for [4-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride is Cl.O=C(c1ccco1)N1CCN(C(c2ccccc2Cl)c2nnnn2CC2CCCO2)CC1.
What is the InChIKey of [4-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride?
The InChIKey is RCXVCFOUMGZWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O3.ClH/c23-18-7-2-1-6-17(18)20(21-24-25-26-29(21)15-16-5-3-13-31-16)27-9-11-28(12-10-27)22(30)19-8-4-14-32-19;/h1-2,4,6-8,14,16,20H,3,5,9-13,15H2;1H.
What are the key properties of [4-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride?
[4-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride has a molecular weight of 493.40 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride is sourced from PubChem (CID 6602568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).