2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide

C22H32FN3O4 — CID 125177176

IUPAC2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1
InChIInChI=1S/C22H32FN3O4/c1-16(2)24(3)21(27)13-25-10-8-18(9-11-25)26-12-20(30-15-22(26)28)14-29-19-6-4-17(23)5-7-19/h4-7,16,18,20H,8-15H2,1-3H3/t20-/m1/s1
InChIKeyOHPVPANARAAAPU-HXUWFJFHSA-N
MW421.51 g/mol
LogP1.76
Rot. Bonds7

About 2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide

2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide (PubChem CID 125177176) has the molecular formula C22H32FN3O4 and a molecular weight of 421.51 g/mol. Its IUPAC name is 2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
PubChem CID125177176
Molecular FormulaC22H32FN3O4
Molecular Weight421.51 g/mol
Exact Mass421.24
IUPAC Name2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1
InChIInChI=1S/C22H32FN3O4/c1-16(2)24(3)21(27)13-25-10-8-18(9-11-25)26-12-20(30-15-22(26)28)14-29-19-6-4-17(23)5-7-19/h4-7,16,18,20H,8-15H2,1-3H3/t20-/m1/s1
InChIKeyOHPVPANARAAAPU-HXUWFJFHSA-N
XLogP1.76
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methylacetamide
CID 125156221
(6R)-4-(1-ethylpiperidin-4-yl)-6-[(4-fluorophenoxy)methyl]morpholin-3-one
CID 125161379
(6S)-4-[1-(cyclobutylmethyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one
CID 125178160
6-[(4-fluorophenoxy)methyl]-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]morpholin-3-one
CID 118773433
(6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]morpholin-3-one
CID 125159849
6-[(4-fluorophenoxy)methyl]-4-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]morpholin-3-one
CID 118790903
(6S)-6-[(4-fluorophenoxy)methyl]-4-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]morpholin-3-one
CID 125179516
(6S)-6-[(4-fluorophenoxy)methyl]-4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]morpholin-3-one
CID 125170900
formic acid;methyl 4-[4-[2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]butanoate
CID 154922503
(6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[(3-methylpyrazin-2-yl)methyl]piperidin-4-yl]morpholin-3-one
CID 125176828
6-[(4-fluorophenoxy)methyl]-4-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]morpholin-3-one
CID 118791221
4-[1-(3-aminopropanoyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one;hydrochloride
CID 154919485

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide (CID 125177176) is 2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)CN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1.
What is the InChIKey of 2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is OHPVPANARAAAPU-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H32FN3O4/c1-16(2)24(3)21(27)13-25-10-8-18(9-11-25)26-12-20(30-15-22(26)28)14-29-19-6-4-17(23)5-7-19/h4-7,16,18,20H,8-15H2,1-3H3/t20-/m1/s1.
What are the key properties of 2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide?
2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 421.51 g/mol, XLogP of 1.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 125177176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).