3-(3,5-dimethylpyrazolidin-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one

C18H27N3O2 — CID 134067569

IUPAC3-(3,5-dimethylpyrazolidin-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
SMILESCC1NNC(C)C1CCC(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C18H27N3O2/c1-13-16(14(2)20-19-13)8-9-18(22)21-10-11-23-17(12-21)15-6-4-3-5-7-15/h3-7,13-14,16-17,19-20H,8-12H2,1-2H3
InChIKeyJFBKZIILUDFZNY-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.87
Rot. Bonds4

About 3-(3,5-dimethylpyrazolidin-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one

3-(3,5-dimethylpyrazolidin-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one (PubChem CID 134067569) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazolidin-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazolidin-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
PubChem CID134067569
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name3-(3,5-dimethylpyrazolidin-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
SMILESCC1NNC(C)C1CCC(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C18H27N3O2/c1-13-16(14(2)20-19-13)8-9-18(22)21-10-11-23-17(12-21)15-6-4-3-5-7-15/h3-7,13-14,16-17,19-20H,8-12H2,1-2H3
InChIKeyJFBKZIILUDFZNY-UHFFFAOYSA-N
XLogP1.87
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119278810
2-amino-5-oxo-5-(2-phenylmorpholin-4-yl)pentanoic acid
CID 166748872
N-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 31414440
2-methyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]propanamide
CID 16894893
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 71700852
morpholin-4-yl-(2-phenylmorpholin-4-yl)methanone
CID 110291317
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 71707666
(5S)-3-[(2-chlorophenyl)methyl]-5-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]imidazolidine-2,4-dione
CID 97489497
2-[5-oxo-5-(2-phenylmorpholin-4-yl)pentyl]guanidine;dihydrochloride
CID 154851772
2,4-dimethyl-5-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]-1H-pyrimidin-6-one
CID 136882935
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one
CID 95141971
1-(4-methoxyphenyl)-5-(2-phenylmorpholin-4-yl)pentane-1,5-dione
CID 110308920

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazolidin-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one?
The IUPAC name of 3-(3,5-dimethylpyrazolidin-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one (CID 134067569) is 3-(3,5-dimethylpyrazolidin-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 3-(3,5-dimethylpyrazolidin-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 3-(3,5-dimethylpyrazolidin-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one is CC1NNC(C)C1CCC(=O)N1CCOC(c2ccccc2)C1.
What is the InChIKey of 3-(3,5-dimethylpyrazolidin-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one?
The InChIKey is JFBKZIILUDFZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13-16(14(2)20-19-13)8-9-18(22)21-10-11-23-17(12-21)15-6-4-3-5-7-15/h3-7,13-14,16-17,19-20H,8-12H2,1-2H3.
What are the key properties of 3-(3,5-dimethylpyrazolidin-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one?
3-(3,5-dimethylpyrazolidin-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one has a molecular weight of 317.43 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazolidin-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 134067569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).