4-[[4-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]piperazin-1-yl]methyl]benzamide

C23H26ClN7O2 — CID 112827487

IUPAC4-[[4-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]piperazin-1-yl]methyl]benzamide
SMILESCCC(C(=O)N1CCN(Cc2ccc(C(N)=O)cc2)CC1)n1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H26ClN7O2/c1-2-20(31-27-22(26-28-31)18-7-9-19(24)10-8-18)23(33)30-13-11-29(12-14-30)15-16-3-5-17(6-4-16)21(25)32/h3-10,20H,2,11-15H2,1H3,(H2,25,32)
InChIKeyGNCLEWPQNMWTAP-UHFFFAOYSA-N
MW467.96 g/mol
LogP2.39
Rot. Bonds7

About 4-[[4-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]piperazin-1-yl]methyl]benzamide

4-[[4-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]piperazin-1-yl]methyl]benzamide (PubChem CID 112827487) has the molecular formula C23H26ClN7O2 and a molecular weight of 467.96 g/mol. Its IUPAC name is 4-[[4-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]piperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[4-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]piperazin-1-yl]methyl]benzamide
PubChem CID112827487
Molecular FormulaC23H26ClN7O2
Molecular Weight467.96 g/mol
Exact Mass467.18
IUPAC Name4-[[4-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]piperazin-1-yl]methyl]benzamide
SMILESCCC(C(=O)N1CCN(Cc2ccc(C(N)=O)cc2)CC1)n1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H26ClN7O2/c1-2-20(31-27-22(26-28-31)18-7-9-19(24)10-8-18)23(33)30-13-11-29(12-14-30)15-16-3-5-17(6-4-16)21(25)32/h3-10,20H,2,11-15H2,1H3,(H2,25,32)
InChIKeyGNCLEWPQNMWTAP-UHFFFAOYSA-N
XLogP2.39
TPSA110.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.96
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4-carbamoylphenyl)methyl (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoate
CID 26971559
2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]butan-1-one
CID 56512012
2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-[4-(3-hydroxyphenyl)piperazin-1-yl]butan-1-one
CID 112800579
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]butan-1-one
CID 120820212
(2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-[4-(2-nitrophenyl)piperazin-1-yl]butan-1-one
CID 25382902
2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-(2-methylpiperidin-1-yl)butan-1-one
CID 112809604
(2R)-1-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]butan-1-one
CID 100662526
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-dipropylbutanamide
CID 134022286
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(sulfamoylmethyl)phenyl]butanamide
CID 24676066
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoate
CID 55441302
2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 78835314
N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]benzohydrazide
CID 51246951

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]piperazin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[4-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]piperazin-1-yl]methyl]benzamide (CID 112827487) is 4-[[4-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]piperazin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[4-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]piperazin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[4-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]piperazin-1-yl]methyl]benzamide is CCC(C(=O)N1CCN(Cc2ccc(C(N)=O)cc2)CC1)n1nnc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-[[4-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]piperazin-1-yl]methyl]benzamide?
The InChIKey is GNCLEWPQNMWTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN7O2/c1-2-20(31-27-22(26-28-31)18-7-9-19(24)10-8-18)23(33)30-13-11-29(12-14-30)15-16-3-5-17(6-4-16)21(25)32/h3-10,20H,2,11-15H2,1H3,(H2,25,32).
What are the key properties of 4-[[4-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]piperazin-1-yl]methyl]benzamide?
4-[[4-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]piperazin-1-yl]methyl]benzamide has a molecular weight of 467.96 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]piperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 112827487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).