2-morpholin-4-yl-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone

C18H25N7O2 — CID 30416235

IUPAC2-morpholin-4-yl-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCOCC1)N1CCN(Cc2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C18H25N7O2/c26-18(15-23-10-12-27-13-11-23)24-8-6-22(7-9-24)14-17-19-20-21-25(17)16-4-2-1-3-5-16/h1-5H,6-15H2
InChIKeyUGDQILJFZXMOGC-UHFFFAOYSA-N
MW371.45 g/mol
LogP-0.36
Rot. Bonds5

About 2-morpholin-4-yl-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone

2-morpholin-4-yl-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 30416235) has the molecular formula C18H25N7O2 and a molecular weight of 371.45 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-morpholin-4-yl-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone
PubChem CID30416235
Molecular FormulaC18H25N7O2
Molecular Weight371.45 g/mol
Exact Mass371.21
IUPAC Name2-morpholin-4-yl-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCOCC1)N1CCN(Cc2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C18H25N7O2/c26-18(15-23-10-12-27-13-11-23)24-8-6-22(7-9-24)14-17-19-20-21-25(17)16-4-2-1-3-5-16/h1-5H,6-15H2
InChIKeyUGDQILJFZXMOGC-UHFFFAOYSA-N
XLogP-0.36
TPSA79.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-morpholin-4-yl-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone (CID 30416235) is 2-morpholin-4-yl-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-morpholin-4-yl-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-morpholin-4-yl-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone is O=C(CN1CCOCC1)N1CCN(Cc2nnnn2-c2ccccc2)CC1.
What is the InChIKey of 2-morpholin-4-yl-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is UGDQILJFZXMOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O2/c26-18(15-23-10-12-27-13-11-23)24-8-6-22(7-9-24)14-17-19-20-21-25(17)16-4-2-1-3-5-16/h1-5H,6-15H2.
What are the key properties of 2-morpholin-4-yl-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone?
2-morpholin-4-yl-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 371.45 g/mol, XLogP of -0.36, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 30416235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).