1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]propan-1-one

C20H28N2O4 — CID 95097768

IUPAC1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@@H](COc2ccc(C(=O)N3CCOCC3)cc2)C1
InChIInChI=1S/C20H28N2O4/c1-2-19(23)22-9-3-4-16(14-22)15-26-18-7-5-17(6-8-18)20(24)21-10-12-25-13-11-21/h5-8,16H,2-4,9-15H2,1H3/t16-/m1/s1
InChIKeyCRAZBIFKFFJTSI-MRXNPFEDSA-N
MW360.45 g/mol
LogP2.19
Rot. Bonds5

About 1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]propan-1-one

1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]propan-1-one (PubChem CID 95097768) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]propan-1-one
PubChem CID95097768
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@@H](COc2ccc(C(=O)N3CCOCC3)cc2)C1
InChIInChI=1S/C20H28N2O4/c1-2-19(23)22-9-3-4-16(14-22)15-26-18-7-5-17(6-8-18)20(24)21-10-12-25-13-11-21/h5-8,16H,2-4,9-15H2,1H3/t16-/m1/s1
InChIKeyCRAZBIFKFFJTSI-MRXNPFEDSA-N
XLogP2.19
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

[4-[[1-(3,5-dimethylbenzoyl)piperidin-3-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 53150155
2-(2-methylphenyl)-1-[3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 53150172
2-(2-fluorophenyl)-1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 95097748
[4-[[(3S)-1-(2-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 95097733
3-methyl-1-[3-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]butan-1-one
CID 53150067
1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 70753428
[(3S)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95097684
[(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-phenylmethanone
CID 95097695
3-phenyl-1-[(3S)-3-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]propan-1-one
CID 95097651
[4-[[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 95097674
3-methyl-1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]butan-1-one
CID 53150429
morpholin-4-yl-[4-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methoxy]phenyl]methanone
CID 53150425

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]propan-1-one (CID 95097768) is 1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC[C@@H](COc2ccc(C(=O)N3CCOCC3)cc2)C1.
What is the InChIKey of 1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]propan-1-one?
The InChIKey is CRAZBIFKFFJTSI-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-2-19(23)22-9-3-4-16(14-22)15-26-18-7-5-17(6-8-18)20(24)21-10-12-25-13-11-21/h5-8,16H,2-4,9-15H2,1H3/t16-/m1/s1.
What are the key properties of 1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]propan-1-one?
1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]propan-1-one has a molecular weight of 360.45 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95097768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).