3-(1-acetylpiperidin-4-yl)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]propan-1-one

C19H30N4O3 — CID 136518981

IUPAC3-(1-acetylpiperidin-4-yl)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]propan-1-one
SMILESCC(=O)N1CCC(CCC(=O)N2CCOCC2c2c(C)n[nH]c2C)CC1
InChIInChI=1S/C19H30N4O3/c1-13-19(14(2)21-20-13)17-12-26-11-10-23(17)18(25)5-4-16-6-8-22(9-7-16)15(3)24/h16-17H,4-12H2,1-3H3,(H,20,21)
InChIKeyOGSHFVWTGLGUBD-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.97
Rot. Bonds4

About 3-(1-acetylpiperidin-4-yl)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]propan-1-one

3-(1-acetylpiperidin-4-yl)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]propan-1-one (PubChem CID 136518981) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 3-(1-acetylpiperidin-4-yl)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(1-acetylpiperidin-4-yl)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]propan-1-one
PubChem CID136518981
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name3-(1-acetylpiperidin-4-yl)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]propan-1-one
SMILESCC(=O)N1CCC(CCC(=O)N2CCOCC2c2c(C)n[nH]c2C)CC1
InChIInChI=1S/C19H30N4O3/c1-13-19(14(2)21-20-13)17-12-26-11-10-23(17)18(25)5-4-16-6-8-22(9-7-16)15(3)24/h16-17H,4-12H2,1-3H3,(H,20,21)
InChIKeyOGSHFVWTGLGUBD-UHFFFAOYSA-N
XLogP1.97
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-(2-methylphenyl)propan-1-one
CID 75470411
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one
CID 75470373
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 75470386
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(3-methylphenyl)ethanone
CID 75470410
[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-3-methyl-1H-pyrazol-5-yl)methanone
CID 137247350
(4,5-dimethylfuran-2-yl)-[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone
CID 97330769
[(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 97330753
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-fluorophenyl)morpholine-4-carboxamide
CID 75470343
[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-methoxythiophen-2-yl)methanone
CID 75470371
[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indol-7-yl)methanone
CID 97330778
(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-propan-2-ylmorpholine
CID 125457640
[(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indol-2-yl)methanone
CID 97251880

Frequently Asked Questions

What is the IUPAC name of 3-(1-acetylpiperidin-4-yl)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(1-acetylpiperidin-4-yl)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]propan-1-one (CID 136518981) is 3-(1-acetylpiperidin-4-yl)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(1-acetylpiperidin-4-yl)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(1-acetylpiperidin-4-yl)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]propan-1-one is CC(=O)N1CCC(CCC(=O)N2CCOCC2c2c(C)n[nH]c2C)CC1.
What is the InChIKey of 3-(1-acetylpiperidin-4-yl)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]propan-1-one?
The InChIKey is OGSHFVWTGLGUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-13-19(14(2)21-20-13)17-12-26-11-10-23(17)18(25)5-4-16-6-8-22(9-7-16)15(3)24/h16-17H,4-12H2,1-3H3,(H,20,21).
What are the key properties of 3-(1-acetylpiperidin-4-yl)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]propan-1-one?
3-(1-acetylpiperidin-4-yl)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]propan-1-one has a molecular weight of 362.47 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetylpiperidin-4-yl)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 136518981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).