ethyl 4-[2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]acetyl]piperazine-1-carboxylate

C18H24N6O4 — CID 91945458

IUPACethyl 4-[2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cc2ccc(OCc3nnnn3C)cc2)CC1
InChIInChI=1S/C18H24N6O4/c1-3-27-18(26)24-10-8-23(9-11-24)17(25)12-14-4-6-15(7-5-14)28-13-16-19-20-21-22(16)2/h4-7H,3,8-13H2,1-2H3
InChIKeyWEXIYNMTZVFDPZ-UHFFFAOYSA-N
MW388.43 g/mol
LogP0.63
Rot. Bonds6

About ethyl 4-[2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]acetyl]piperazine-1-carboxylate

ethyl 4-[2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]acetyl]piperazine-1-carboxylate (PubChem CID 91945458) has the molecular formula C18H24N6O4 and a molecular weight of 388.43 g/mol. Its IUPAC name is ethyl 4-[2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]acetyl]piperazine-1-carboxylate
PubChem CID91945458
Molecular FormulaC18H24N6O4
Molecular Weight388.43 g/mol
Exact Mass388.19
IUPAC Nameethyl 4-[2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cc2ccc(OCc3nnnn3C)cc2)CC1
InChIInChI=1S/C18H24N6O4/c1-3-27-18(26)24-10-8-23(9-11-24)17(25)12-14-4-6-15(7-5-14)28-13-16-19-20-21-22(16)2/h4-7H,3,8-13H2,1-2H3
InChIKeyWEXIYNMTZVFDPZ-UHFFFAOYSA-N
XLogP0.63
TPSA102.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-ethylpiperazin-1-yl)-2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]ethanone
CID 91945606
ethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate
CID 78784884
ethyl 4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110808925
ethyl 4-[2-(4-ethylphenyl)acetyl]piperazine-1-carboxylate
CID 99623799
2-(4-ethoxyphenyl)-1-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 30937916
azepan-1-yl-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone
CID 71830515
2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-(4-phenylphenyl)acetamide
CID 91945914
1-(4-aminopiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone
CID 82365897
2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 97465054
(4-methylpiperidin-1-yl)-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone
CID 71830519
2-(4-ethoxyphenyl)-1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 30937243
1-[4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-(4-phenylphenyl)ethanone
CID 30938837

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]acetyl]piperazine-1-carboxylate (CID 91945458) is ethyl 4-[2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)Cc2ccc(OCc3nnnn3C)cc2)CC1.
What is the InChIKey of ethyl 4-[2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]acetyl]piperazine-1-carboxylate?
The InChIKey is WEXIYNMTZVFDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O4/c1-3-27-18(26)24-10-8-23(9-11-24)17(25)12-14-4-6-15(7-5-14)28-13-16-19-20-21-22(16)2/h4-7H,3,8-13H2,1-2H3.
What are the key properties of ethyl 4-[2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]acetyl]piperazine-1-carboxylate?
ethyl 4-[2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]acetyl]piperazine-1-carboxylate has a molecular weight of 388.43 g/mol, XLogP of 0.63, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 91945458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).