1-[2-(3-fluorophenyl)piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone

C19H25FN6O2 — CID 45249248

IUPAC1-[2-(3-fluorophenyl)piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone
SMILESO=C(Cn1nnnc1CN1CCOCC1)N1CCCCC1c1cccc(F)c1
InChIInChI=1S/C19H25FN6O2/c20-16-5-3-4-15(12-16)17-6-1-2-7-25(17)19(27)14-26-18(21-22-23-26)13-24-8-10-28-11-9-24/h3-5,12,17H,1-2,6-11,13-14H2
InChIKeyJSRXOKWXBDHZCH-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.40
Rot. Bonds5

About 1-[2-(3-fluorophenyl)piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone

1-[2-(3-fluorophenyl)piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone (PubChem CID 45249248) has the molecular formula C19H25FN6O2 and a molecular weight of 388.45 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone
PubChem CID45249248
Molecular FormulaC19H25FN6O2
Molecular Weight388.45 g/mol
Exact Mass388.20
IUPAC Name1-[2-(3-fluorophenyl)piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone
SMILESO=C(Cn1nnnc1CN1CCOCC1)N1CCCCC1c1cccc(F)c1
InChIInChI=1S/C19H25FN6O2/c20-16-5-3-4-15(12-16)17-6-1-2-7-25(17)19(27)14-26-18(21-22-23-26)13-24-8-10-28-11-9-24/h3-5,12,17H,1-2,6-11,13-14H2
InChIKeyJSRXOKWXBDHZCH-UHFFFAOYSA-N
XLogP1.40
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone?
The IUPAC name of 1-[2-(3-fluorophenyl)piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone (CID 45249248) is 1-[2-(3-fluorophenyl)piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone.
What is the SMILES notation for 1-[2-(3-fluorophenyl)piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone?
The canonical SMILES for 1-[2-(3-fluorophenyl)piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone is O=C(Cn1nnnc1CN1CCOCC1)N1CCCCC1c1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone?
The InChIKey is JSRXOKWXBDHZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN6O2/c20-16-5-3-4-15(12-16)17-6-1-2-7-25(17)19(27)14-26-18(21-22-23-26)13-24-8-10-28-11-9-24/h3-5,12,17H,1-2,6-11,13-14H2.
What are the key properties of 1-[2-(3-fluorophenyl)piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone?
1-[2-(3-fluorophenyl)piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone has a molecular weight of 388.45 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone is sourced from PubChem (CID 45249248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).