4-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one

C22H29FN4O3 — CID 118768001

IUPAC4-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one
SMILESCCn1cc(CN2CCC(N3CC(COc4ccc(F)cc4)OCC3=O)CC2)cn1
InChIInChI=1S/C22H29FN4O3/c1-2-26-13-17(11-24-26)12-25-9-7-19(8-10-25)27-14-21(30-16-22(27)28)15-29-20-5-3-18(23)4-6-20/h3-6,11,13,19,21H,2,7-10,12,14-16H2,1H3
InChIKeyFQFWXVAQIRZDSK-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.31
Rot. Bonds7

About 4-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one

4-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one (PubChem CID 118768001) has the molecular formula C22H29FN4O3 and a molecular weight of 416.50 g/mol. Its IUPAC name is 4-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one.

Molecular Properties

Compound Name4-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one
PubChem CID118768001
Molecular FormulaC22H29FN4O3
Molecular Weight416.50 g/mol
Exact Mass416.22
IUPAC Name4-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one
SMILESCCn1cc(CN2CCC(N3CC(COc4ccc(F)cc4)OCC3=O)CC2)cn1
InChIInChI=1S/C22H29FN4O3/c1-2-26-13-17(11-24-26)12-25-9-7-19(8-10-25)27-14-21(30-16-22(27)28)15-29-20-5-3-18(23)4-6-20/h3-6,11,13,19,21H,2,7-10,12,14-16H2,1H3
InChIKeyFQFWXVAQIRZDSK-UHFFFAOYSA-N
XLogP2.31
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one with MolForge

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Related Compounds

(6R)-4-(1-ethylpiperidin-4-yl)-6-[(4-fluorophenoxy)methyl]morpholin-3-one
CID 125161379
6-[(4-fluorophenoxy)methyl]-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]morpholin-3-one
CID 118773433
4-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one
CID 118771238
(6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[(3-methylpyrazin-2-yl)methyl]piperidin-4-yl]morpholin-3-one
CID 125176828
(6S)-6-[(4-fluorophenoxy)methyl]-4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]morpholin-3-one
CID 125175144
6-[(4-fluorophenoxy)methyl]-4-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]morpholin-3-one
CID 118791221
(6S)-4-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one
CID 125165704
4-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one
CID 118760835
4-[1-[(1,2-dimethylimidazol-4-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one
CID 146044661
4-[1-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one
CID 118767993
(6S)-6-[(4-fluorophenoxy)methyl]-4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]morpholin-3-one
CID 125170900
6-[(4-fluorophenoxy)methyl]-4-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]morpholin-3-one
CID 118790903

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one?
The IUPAC name of 4-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one (CID 118768001) is 4-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one.
What is the SMILES notation for 4-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one?
The canonical SMILES for 4-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one is CCn1cc(CN2CCC(N3CC(COc4ccc(F)cc4)OCC3=O)CC2)cn1.
What is the InChIKey of 4-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one?
The InChIKey is FQFWXVAQIRZDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O3/c1-2-26-13-17(11-24-26)12-25-9-7-19(8-10-25)27-14-21(30-16-22(27)28)15-29-20-5-3-18(23)4-6-20/h3-6,11,13,19,21H,2,7-10,12,14-16H2,1H3.
What are the key properties of 4-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one?
4-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one has a molecular weight of 416.50 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one is sourced from PubChem (CID 118768001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).