1-[4-[6-amino-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone

C23H27FN4O4 — CID 110085308

IUPAC1-[4-[6-amino-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone
SMILESNc1nc(C2CCN(C(=O)COc3ccc(F)cc3)CC2)ccc1C(=O)N1CCOCC1
InChIInChI=1S/C23H27FN4O4/c24-17-1-3-18(4-2-17)32-15-21(29)27-9-7-16(8-10-27)20-6-5-19(22(25)26-20)23(30)28-11-13-31-14-12-28/h1-6,16H,7-15H2,(H2,25,26)
InChIKeyXEDYMCYEWRPPMB-UHFFFAOYSA-N
MW442.49 g/mol
LogP2.06
Rot. Bonds5

About 1-[4-[6-amino-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone

1-[4-[6-amino-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone (PubChem CID 110085308) has the molecular formula C23H27FN4O4 and a molecular weight of 442.49 g/mol. Its IUPAC name is 1-[4-[6-amino-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-[4-[6-amino-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone
PubChem CID110085308
Molecular FormulaC23H27FN4O4
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC Name1-[4-[6-amino-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone
SMILESNc1nc(C2CCN(C(=O)COc3ccc(F)cc3)CC2)ccc1C(=O)N1CCOCC1
InChIInChI=1S/C23H27FN4O4/c24-17-1-3-18(4-2-17)32-15-21(29)27-9-7-16(8-10-27)20-6-5-19(22(25)26-20)23(30)28-11-13-31-14-12-28/h1-6,16H,7-15H2,(H2,25,26)
InChIKeyXEDYMCYEWRPPMB-UHFFFAOYSA-N
XLogP2.06
TPSA97.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[6-amino-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone with MolForge

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Related Compounds

2-(4-fluorophenoxy)-1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 125021789
2-(4-fluorophenoxy)-1-[(2R)-2-methylmorpholin-4-yl]ethanone
CID 94527179
2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-4-one
CID 53165295
1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone
CID 95809413
2-[4-[(4-fluorophenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 5173161
1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]-2-phenoxyethanone
CID 53150450
[4-[[1-(2,4-difluorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 53150445
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
2-(4-fluorophenoxy)-1-[(6R)-6-(pyrimidin-4-ylmethyl)-1,4-oxazepan-4-yl]ethanone
CID 125003199
2-(4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119559642
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
2-(4-fluorophenoxy)-1-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 53150393

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-amino-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone?
The IUPAC name of 1-[4-[6-amino-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone (CID 110085308) is 1-[4-[6-amino-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone.
What is the SMILES notation for 1-[4-[6-amino-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone?
The canonical SMILES for 1-[4-[6-amino-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone is Nc1nc(C2CCN(C(=O)COc3ccc(F)cc3)CC2)ccc1C(=O)N1CCOCC1.
What is the InChIKey of 1-[4-[6-amino-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone?
The InChIKey is XEDYMCYEWRPPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O4/c24-17-1-3-18(4-2-17)32-15-21(29)27-9-7-16(8-10-27)20-6-5-19(22(25)26-20)23(30)28-11-13-31-14-12-28/h1-6,16H,7-15H2,(H2,25,26).
What are the key properties of 1-[4-[6-amino-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone?
1-[4-[6-amino-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone has a molecular weight of 442.49 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-amino-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone is sourced from PubChem (CID 110085308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).