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

C20H24Cl2N6O3 — CID 24792379

IUPAC[4-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride
SMILESCOCCn1nnnc1C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1.Cl
InChIInChI=1S/C20H23ClN6O3.ClH/c1-29-14-12-27-19(22-23-24-27)18(15-4-6-16(21)7-5-15)25-8-10-26(11-9-25)20(28)17-3-2-13-30-17;/h2-7,13,18H,8-12,14H2,1H3;1H
InChIKeyCSHQOHATYYHQMJ-UHFFFAOYSA-N
MW467.36 g/mol
LogP2.54
Rot. Bonds7

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

[4-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride (PubChem CID 24792379) has the molecular formula C20H24Cl2N6O3 and a molecular weight of 467.36 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride
PubChem CID24792379
Molecular FormulaC20H24Cl2N6O3
Molecular Weight467.36 g/mol
Exact Mass466.13
IUPAC Name[4-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride
SMILESCOCCn1nnnc1C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1.Cl
InChIInChI=1S/C20H23ClN6O3.ClH/c1-29-14-12-27-19(22-23-24-27)18(15-4-6-16(21)7-5-15)25-8-10-26(11-9-25)20(28)17-3-2-13-30-17;/h2-7,13,18H,8-12,14H2,1H3;1H
InChIKeyCSHQOHATYYHQMJ-UHFFFAOYSA-N
XLogP2.54
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.36
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[4-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 3209704
furan-2-yl-[4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-quinolin-6-ylmethyl]piperazin-1-yl]methanone
CID 25413074
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
[4-[(S)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 1446169
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
[4-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 3209833
[4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylphenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 3209826
1-[(S)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine
CID 51685851
3-[[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-7-methoxy-1H-quinolin-2-one
CID 3187779
7-[(R)-[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 28608520

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride?
The IUPAC name of [4-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride (CID 24792379) is [4-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride.
What is the SMILES notation for [4-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride?
The canonical SMILES for [4-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride is COCCn1nnnc1C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1.Cl.
What is the InChIKey of [4-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride?
The InChIKey is CSHQOHATYYHQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O3.ClH/c1-29-14-12-27-19(22-23-24-27)18(15-4-6-16(21)7-5-15)25-8-10-26(11-9-25)20(28)17-3-2-13-30-17;/h2-7,13,18H,8-12,14H2,1H3;1H.
What are the key properties of [4-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride?
[4-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride has a molecular weight of 467.36 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride is sourced from PubChem (CID 24792379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).