4-[2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetyl]-1-phenylpiperazin-2-one

C18H23N7O3 — CID 26321507

IUPAC4-[2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetyl]-1-phenylpiperazin-2-one
SMILESO=C(Cn1nnnc1CN1CCOCC1)N1CCN(c2ccccc2)C(=O)C1
InChIInChI=1S/C18H23N7O3/c26-17(14-25-16(19-20-21-25)12-22-8-10-28-11-9-22)23-6-7-24(18(27)13-23)15-4-2-1-3-5-15/h1-5H,6-14H2
InChIKeyYFLTUMRJNRZYMN-UHFFFAOYSA-N
MW385.43 g/mol
LogP-0.62
Rot. Bonds5

About 4-[2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetyl]-1-phenylpiperazin-2-one

4-[2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetyl]-1-phenylpiperazin-2-one (PubChem CID 26321507) has the molecular formula C18H23N7O3 and a molecular weight of 385.43 g/mol. Its IUPAC name is 4-[2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetyl]-1-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetyl]-1-phenylpiperazin-2-one
PubChem CID26321507
Molecular FormulaC18H23N7O3
Molecular Weight385.43 g/mol
Exact Mass385.19
IUPAC Name4-[2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetyl]-1-phenylpiperazin-2-one
SMILESO=C(Cn1nnnc1CN1CCOCC1)N1CCN(c2ccccc2)C(=O)C1
InChIInChI=1S/C18H23N7O3/c26-17(14-25-16(19-20-21-25)12-22-8-10-28-11-9-22)23-6-7-24(18(27)13-23)15-4-2-1-3-5-15/h1-5H,6-14H2
InChIKeyYFLTUMRJNRZYMN-UHFFFAOYSA-N
XLogP-0.62
TPSA96.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetyl]-1-phenylpiperazin-2-one?
The IUPAC name of 4-[2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetyl]-1-phenylpiperazin-2-one (CID 26321507) is 4-[2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetyl]-1-phenylpiperazin-2-one.
What is the SMILES notation for 4-[2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetyl]-1-phenylpiperazin-2-one?
The canonical SMILES for 4-[2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetyl]-1-phenylpiperazin-2-one is O=C(Cn1nnnc1CN1CCOCC1)N1CCN(c2ccccc2)C(=O)C1.
What is the InChIKey of 4-[2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetyl]-1-phenylpiperazin-2-one?
The InChIKey is YFLTUMRJNRZYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O3/c26-17(14-25-16(19-20-21-25)12-22-8-10-28-11-9-22)23-6-7-24(18(27)13-23)15-4-2-1-3-5-15/h1-5H,6-14H2.
What are the key properties of 4-[2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetyl]-1-phenylpiperazin-2-one?
4-[2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetyl]-1-phenylpiperazin-2-one has a molecular weight of 385.43 g/mol, XLogP of -0.62, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetyl]-1-phenylpiperazin-2-one is sourced from PubChem (CID 26321507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).