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

C14H17ClN6O — CID 30857778

IUPAC1-[4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H17ClN6O/c1-11(22)20-8-6-19(7-9-20)10-14-16-17-18-21(14)13-4-2-12(15)3-5-13/h2-5H,6-10H2,1H3
InChIKeyISZFPXJVJHHFHO-UHFFFAOYSA-N
MW320.78 g/mol
LogP0.98
Rot. Bonds3

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

1-[4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 30857778) has the molecular formula C14H17ClN6O and a molecular weight of 320.78 g/mol. Its IUPAC name is 1-[4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone
PubChem CID30857778
Molecular FormulaC14H17ClN6O
Molecular Weight320.78 g/mol
Exact Mass320.12
IUPAC Name1-[4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H17ClN6O/c1-11(22)20-8-6-19(7-9-20)10-14-16-17-18-21(14)13-4-2-12(15)3-5-13/h2-5H,6-10H2,1H3
InChIKeyISZFPXJVJHHFHO-UHFFFAOYSA-N
XLogP0.98
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(4-Chlorophenyl)-1H-tetraazol-5-yl]-N,N-dimethylcyclohexanamine
CID 581177
1-[1-(3,4-Dichloro-phenyl)-1H-tetrazol-5-ylmethyl]-piperidine
CID 3165816
1-[1-(4-Chloro-phenyl)-1H-tetrazol-5-ylmethyl]-4-methyl-piperidine
CID 3167930
1-[4-(1-Phenyltetrazol-5-yl)piperazin-1-yl]ethanone
CID 2549799
4-[1-(3,4-Dichloro-phenyl)-1H-tetrazol-5-ylmethyl]-morpholine
CID 3165813
4-[1-(4-Chloro-phenyl)-1H-tetrazol-5-ylmethyl]-morpholine
CID 3167929
1H-Tetrazole, 1-(4-chlorophenyl)-5-methyl-
CID 581477
1-[[1-(4-Chlorophenyl)tetrazol-5-yl]methyl]-3-methylpiperidine
CID 3184561
1-(4-Chlorophenyl)-4-(4-methylpiperazin-1-yl)-1,5-dihydro-2H-imidazol-2-one
CID 11680876
1H-Tetrazole-5-acetamide, N-(4-chlorophenyl)-
CID 3054059
Methyl 4-[3-(1-phenyltetrazol-5-yl)propyl]piperazine-1-carboxylate
CID 51086868
1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-5-methyl-1,2,4-triazole-3-carboxamide
CID 51099174

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone (CID 30857778) is 1-[4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is ISZFPXJVJHHFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN6O/c1-11(22)20-8-6-19(7-9-20)10-14-16-17-18-21(14)13-4-2-12(15)3-5-13/h2-5H,6-10H2,1H3.
What are the key properties of 1-[4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone?
1-[4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 320.78 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 30857778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).