1-[2-(4-fluorophenyl)morpholine-4-carbonyl]cyclopentane-1-carbonitrile

C17H19FN2O2 — CID 56811858

IUPAC1-[2-(4-fluorophenyl)morpholine-4-carbonyl]cyclopentane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCOC(c3ccc(F)cc3)C2)CCCC1
InChIInChI=1S/C17H19FN2O2/c18-14-5-3-13(4-6-14)15-11-20(9-10-22-15)16(21)17(12-19)7-1-2-8-17/h3-6,15H,1-2,7-11H2
InChIKeyJXWHQUNQRUAQGO-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.81
Rot. Bonds2

About 1-[2-(4-fluorophenyl)morpholine-4-carbonyl]cyclopentane-1-carbonitrile

1-[2-(4-fluorophenyl)morpholine-4-carbonyl]cyclopentane-1-carbonitrile (PubChem CID 56811858) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)morpholine-4-carbonyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)morpholine-4-carbonyl]cyclopentane-1-carbonitrile
PubChem CID56811858
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name1-[2-(4-fluorophenyl)morpholine-4-carbonyl]cyclopentane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCOC(c3ccc(F)cc3)C2)CCCC1
InChIInChI=1S/C17H19FN2O2/c18-14-5-3-13(4-6-14)15-11-20(9-10-22-15)16(21)17(12-19)7-1-2-8-17/h3-6,15H,1-2,7-11H2
InChIKeyJXWHQUNQRUAQGO-UHFFFAOYSA-N
XLogP2.81
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)morpholine-4-carbonyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[2-(4-fluorophenyl)morpholine-4-carbonyl]cyclopentane-1-carbonitrile (CID 56811858) is 1-[2-(4-fluorophenyl)morpholine-4-carbonyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[2-(4-fluorophenyl)morpholine-4-carbonyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[2-(4-fluorophenyl)morpholine-4-carbonyl]cyclopentane-1-carbonitrile is N#CC1(C(=O)N2CCOC(c3ccc(F)cc3)C2)CCCC1.
What is the InChIKey of 1-[2-(4-fluorophenyl)morpholine-4-carbonyl]cyclopentane-1-carbonitrile?
The InChIKey is JXWHQUNQRUAQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c18-14-5-3-13(4-6-14)15-11-20(9-10-22-15)16(21)17(12-19)7-1-2-8-17/h3-6,15H,1-2,7-11H2.
What are the key properties of 1-[2-(4-fluorophenyl)morpholine-4-carbonyl]cyclopentane-1-carbonitrile?
1-[2-(4-fluorophenyl)morpholine-4-carbonyl]cyclopentane-1-carbonitrile has a molecular weight of 302.35 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)morpholine-4-carbonyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 56811858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).