2-(4-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]acetamide

C21H25FN4O2 — CID 91632767

IUPAC2-(4-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]acetamide
SMILESO=C(COc1ccc(F)cc1)NC1CCN(c2cc3c(nn2)CCCC3)CC1
InChIInChI=1S/C21H25FN4O2/c22-16-5-7-18(8-6-16)28-14-21(27)23-17-9-11-26(12-10-17)20-13-15-3-1-2-4-19(15)24-25-20/h5-8,13,17H,1-4,9-12,14H2,(H,23,27)
InChIKeyLRAXLDGDECCLEZ-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.66
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]acetamide

2-(4-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]acetamide (PubChem CID 91632767) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]acetamide
PubChem CID91632767
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name2-(4-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]acetamide
SMILESO=C(COc1ccc(F)cc1)NC1CCN(c2cc3c(nn2)CCCC3)CC1
InChIInChI=1S/C21H25FN4O2/c22-16-5-7-18(8-6-16)28-14-21(27)23-17-9-11-26(12-10-17)20-13-15-3-1-2-4-19(15)24-25-20/h5-8,13,17H,1-4,9-12,14H2,(H,23,27)
InChIKeyLRAXLDGDECCLEZ-UHFFFAOYSA-N
XLogP2.66
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]acetamide (CID 91632767) is 2-(4-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]acetamide is O=C(COc1ccc(F)cc1)NC1CCN(c2cc3c(nn2)CCCC3)CC1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]acetamide?
The InChIKey is LRAXLDGDECCLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c22-16-5-7-18(8-6-16)28-14-21(27)23-17-9-11-26(12-10-17)20-13-15-3-1-2-4-19(15)24-25-20/h5-8,13,17H,1-4,9-12,14H2,(H,23,27).
What are the key properties of 2-(4-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]acetamide?
2-(4-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]acetamide has a molecular weight of 384.46 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 91632767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).