1-[3-(3-chlorophenyl)-5-phenyl-1H-tetrazol-2-yl]-2-(4-phenylpiperazin-1-yl)ethanone

C25H25ClN6O — CID 53447058

IUPAC1-[3-(3-chlorophenyl)-5-phenyl-1H-tetrazol-2-yl]-2-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ccccc2)CC1)N1NC(c2ccccc2)=NN1c1cccc(Cl)c1
InChIInChI=1S/C25H25ClN6O/c26-21-10-7-13-23(18-21)31-27-25(20-8-3-1-4-9-20)28-32(31)24(33)19-29-14-16-30(17-15-29)22-11-5-2-6-12-22/h1-13,18H,14-17,19H2,(H,27,28)
InChIKeyZSSHZTDWNDKRTF-UHFFFAOYSA-N
MW460.97 g/mol
LogP3.59
Rot. Bonds5

About 1-[3-(3-chlorophenyl)-5-phenyl-1H-tetrazol-2-yl]-2-(4-phenylpiperazin-1-yl)ethanone

1-[3-(3-chlorophenyl)-5-phenyl-1H-tetrazol-2-yl]-2-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 53447058) has the molecular formula C25H25ClN6O and a molecular weight of 460.97 g/mol. Its IUPAC name is 1-[3-(3-chlorophenyl)-5-phenyl-1H-tetrazol-2-yl]-2-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-[3-(3-chlorophenyl)-5-phenyl-1H-tetrazol-2-yl]-2-(4-phenylpiperazin-1-yl)ethanone
PubChem CID53447058
Molecular FormulaC25H25ClN6O
Molecular Weight460.97 g/mol
Exact Mass460.18
IUPAC Name1-[3-(3-chlorophenyl)-5-phenyl-1H-tetrazol-2-yl]-2-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ccccc2)CC1)N1NC(c2ccccc2)=NN1c1cccc(Cl)c1
InChIInChI=1S/C25H25ClN6O/c26-21-10-7-13-23(18-21)31-27-25(20-8-3-1-4-9-20)28-32(31)24(33)19-29-14-16-30(17-15-29)22-11-5-2-6-12-22/h1-13,18H,14-17,19H2,(H,27,28)
InChIKeyZSSHZTDWNDKRTF-UHFFFAOYSA-N
XLogP3.59
TPSA54.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.97
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-bis(3-chlorophenyl)-5-phenyl-1H-tetrazole
CID 53446169
1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
CID 60649957
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 4818731
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
CID 2595436
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-2-ylethanone
CID 72720536
2-(3-chlorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1H-pyrimidin-6-one
CID 136921562
2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide
CID 12578869
2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 78787390
2-(3-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 22432336
2-[4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetic acid
CID 20991836
1-(4-chloro-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 70247357

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chlorophenyl)-5-phenyl-1H-tetrazol-2-yl]-2-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 1-[3-(3-chlorophenyl)-5-phenyl-1H-tetrazol-2-yl]-2-(4-phenylpiperazin-1-yl)ethanone (CID 53447058) is 1-[3-(3-chlorophenyl)-5-phenyl-1H-tetrazol-2-yl]-2-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-[3-(3-chlorophenyl)-5-phenyl-1H-tetrazol-2-yl]-2-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-[3-(3-chlorophenyl)-5-phenyl-1H-tetrazol-2-yl]-2-(4-phenylpiperazin-1-yl)ethanone is O=C(CN1CCN(c2ccccc2)CC1)N1NC(c2ccccc2)=NN1c1cccc(Cl)c1.
What is the InChIKey of 1-[3-(3-chlorophenyl)-5-phenyl-1H-tetrazol-2-yl]-2-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is ZSSHZTDWNDKRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O/c26-21-10-7-13-23(18-21)31-27-25(20-8-3-1-4-9-20)28-32(31)24(33)19-29-14-16-30(17-15-29)22-11-5-2-6-12-22/h1-13,18H,14-17,19H2,(H,27,28).
What are the key properties of 1-[3-(3-chlorophenyl)-5-phenyl-1H-tetrazol-2-yl]-2-(4-phenylpiperazin-1-yl)ethanone?
1-[3-(3-chlorophenyl)-5-phenyl-1H-tetrazol-2-yl]-2-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 460.97 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chlorophenyl)-5-phenyl-1H-tetrazol-2-yl]-2-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 53447058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).