1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]ethanone

C21H21ClN6O2 — CID 1458013

IUPAC1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)Cn3nnc(-c4ccc(Cl)cc4)n3)CC2)cc1
InChIInChI=1S/C21H21ClN6O2/c1-15(29)16-4-8-19(9-5-16)26-10-12-27(13-11-26)20(30)14-28-24-21(23-25-28)17-2-6-18(22)7-3-17/h2-9H,10-14H2,1H3
InChIKeyUKLWDLDAVADKHP-UHFFFAOYSA-N
MW424.89 g/mol
LogP2.54
Rot. Bonds5

About 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]ethanone

1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]ethanone (PubChem CID 1458013) has the molecular formula C21H21ClN6O2 and a molecular weight of 424.89 g/mol. Its IUPAC name is 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]ethanone
PubChem CID1458013
Molecular FormulaC21H21ClN6O2
Molecular Weight424.89 g/mol
Exact Mass424.14
IUPAC Name1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)Cn3nnc(-c4ccc(Cl)cc4)n3)CC2)cc1
InChIInChI=1S/C21H21ClN6O2/c1-15(29)16-4-8-19(9-5-16)26-10-12-27(13-11-26)20(30)14-28-24-21(23-25-28)17-2-6-18(22)7-3-17/h2-9H,10-14H2,1H3
InChIKeyUKLWDLDAVADKHP-UHFFFAOYSA-N
XLogP2.54
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-N-ethylpiperazine-1-carboxamide
CID 78819339
2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 7257545
2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 78835314
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 645863
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanone
CID 25332183
2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 78835628
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]ethanone
CID 120818609
1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 122195196
1-[(3R)-3-methylpiperidin-1-yl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]ethanone
CID 1136669
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-bromoethanone
CID 63681378
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 55411399
1-[4-[4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 55770613

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]ethanone?
The IUPAC name of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]ethanone (CID 1458013) is 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]ethanone.
What is the SMILES notation for 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]ethanone?
The canonical SMILES for 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]ethanone is CC(=O)c1ccc(N2CCN(C(=O)Cn3nnc(-c4ccc(Cl)cc4)n3)CC2)cc1.
What is the InChIKey of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]ethanone?
The InChIKey is UKLWDLDAVADKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN6O2/c1-15(29)16-4-8-19(9-5-16)26-10-12-27(13-11-26)20(30)14-28-24-21(23-25-28)17-2-6-18(22)7-3-17/h2-9H,10-14H2,1H3.
What are the key properties of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]ethanone?
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]ethanone has a molecular weight of 424.89 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]ethanone is sourced from PubChem (CID 1458013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).