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

C18H24ClN7O2 — CID 25275529

IUPAC1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone
SMILESO=C(Cn1nnnc1CN1CCOCC1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H24ClN7O2/c19-15-1-3-16(4-2-15)24-5-7-25(8-6-24)18(27)14-26-17(20-21-22-26)13-23-9-11-28-12-10-23/h1-4H,5-14H2
InChIKeyLJEZNYKVQNDDAK-UHFFFAOYSA-N
MW405.89 g/mol
LogP0.51
Rot. Bonds5

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

1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone (PubChem CID 25275529) has the molecular formula C18H24ClN7O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone
PubChem CID25275529
Molecular FormulaC18H24ClN7O2
Molecular Weight405.89 g/mol
Exact Mass405.17
IUPAC Name1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone
SMILESO=C(Cn1nnnc1CN1CCOCC1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H24ClN7O2/c19-15-1-3-16(4-2-15)24-5-7-25(8-6-24)18(27)14-26-17(20-21-22-26)13-23-9-11-28-12-10-23/h1-4H,5-14H2
InChIKeyLJEZNYKVQNDDAK-UHFFFAOYSA-N
XLogP0.51
TPSA79.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone with MolForge

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Related Compounds

4-[1-(4-Chloro-phenyl)-1H-tetrazol-5-ylmethyl]-morpholine
CID 3167929
4-[(1-{4-[4-(2-fluorophenyl)-1-piperazinyl]-4-oxobutyl}-1H-tetrazol-5-yl)methyl]morpholine
CID 24817149
1-(4-((1-(4-chlorophenyl)-1H-tetrazol-5-yl)methyl)piperazin-1-yl)ethanone
CID 30857778
Ethyl 2-[5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]tetrazol-1-yl]acetate
CID 1431461
2-{5-[1-(4-morpholinyl)cyclohexyl]-1H-tetrazol-1-yl}ethyl (4-chlorophenyl)carbamate
CID 2197520
4-{[5-(4-morpholinylmethyl)-1H-tetrazol-1-yl]acetyl}-1-phenyl-2-piperazinone
CID 26321507
1-(4-((1-(4-chlorophenyl)-1H-tetrazol-5-yl)methyl)piperazin-1-yl)-2,2-dimethylpropan-1-one
CID 30857784
(Z)-1-(4-((1-(4-chlorophenyl)-1H-tetrazol-5-yl)methyl)piperazin-1-yl)but-2-en-1-one
CID 30857797
methyl 4-((1-(4-chlorophenyl)-1H-tetrazol-5-yl)methyl)piperazine-1-carboxylate
CID 30857849
Ethyl 2-[5-[(4-phenylpiperazin-1-yl)methyl]tetrazol-1-yl]acetate
CID 43811831
1-(3-Chlorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperazine
CID 43812259
1-(3-Chlorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine
CID 44753206

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone?
The IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone (CID 25275529) is 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone is O=C(Cn1nnnc1CN1CCOCC1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone?
The InChIKey is LJEZNYKVQNDDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN7O2/c19-15-1-3-16(4-2-15)24-5-7-25(8-6-24)18(27)14-26-17(20-21-22-26)13-23-9-11-28-12-10-23/h1-4H,5-14H2.
What are the key properties of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone?
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone has a molecular weight of 405.89 g/mol, XLogP of 0.51, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone is sourced from PubChem (CID 25275529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).