3-(2-chlorophenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one

C16H19ClN6O2 — CID 78905113

IUPAC3-(2-chlorophenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1Cl)N1CCN(C(=O)Cn2cnnn2)CC1
InChIInChI=1S/C16H19ClN6O2/c17-14-4-2-1-3-13(14)5-6-15(24)21-7-9-22(10-8-21)16(25)11-23-12-18-19-20-23/h1-4,12H,5-11H2
InChIKeyWVTUQYLBKSNSCK-UHFFFAOYSA-N
MW362.82 g/mol
LogP0.63
Rot. Bonds5

About 3-(2-chlorophenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one

3-(2-chlorophenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one (PubChem CID 78905113) has the molecular formula C16H19ClN6O2 and a molecular weight of 362.82 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one
PubChem CID78905113
Molecular FormulaC16H19ClN6O2
Molecular Weight362.82 g/mol
Exact Mass362.13
IUPAC Name3-(2-chlorophenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1Cl)N1CCN(C(=O)Cn2cnnn2)CC1
InChIInChI=1S/C16H19ClN6O2/c17-14-4-2-1-3-13(14)5-6-15(24)21-7-9-22(10-8-21)16(25)11-23-12-18-19-20-23/h1-4,12H,5-11H2
InChIKeyWVTUQYLBKSNSCK-UHFFFAOYSA-N
XLogP0.63
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-bromophenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one
CID 78905433
1-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78898270
3-(4-ethylphenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one
CID 78904858
1-[4-(4-chloro-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 166341923
1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]pentan-1-one
CID 78875804
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 132968742
4-phenyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxylic acid
CID 119164517
3-(2-chlorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 51252212
1-(2-chlorophenyl)-2-(tetrazol-1-yl)ethanone
CID 52914739
3-(2-chlorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one
CID 94719688
1-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 133409312
4-(2-chlorophenyl)-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]butan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(2-chlorophenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one (CID 78905113) is 3-(2-chlorophenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-chlorophenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-chlorophenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one is O=C(CCc1ccccc1Cl)N1CCN(C(=O)Cn2cnnn2)CC1.
What is the InChIKey of 3-(2-chlorophenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one?
The InChIKey is WVTUQYLBKSNSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6O2/c17-14-4-2-1-3-13(14)5-6-15(24)21-7-9-22(10-8-21)16(25)11-23-12-18-19-20-23/h1-4,12H,5-11H2.
What are the key properties of 3-(2-chlorophenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one?
3-(2-chlorophenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one has a molecular weight of 362.82 g/mol, XLogP of 0.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 78905113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).