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

C19H32N4O2 — CID 56893074

IUPAC3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]propan-1-one
SMILESCc1[nH]nc(CCC(=O)N2CCC(C(C)N3CCOCC3)CC2)c1C
InChIInChI=1S/C19H32N4O2/c1-14-15(2)20-21-18(14)4-5-19(24)23-8-6-17(7-9-23)16(3)22-10-12-25-13-11-22/h16-17H,4-13H2,1-3H3,(H,20,21)
InChIKeyJNMYGAJSBQJBOW-UHFFFAOYSA-N
MW348.49 g/mol
LogP1.92
Rot. Bonds5

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

3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]propan-1-one (PubChem CID 56893074) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]propan-1-one
PubChem CID56893074
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]propan-1-one
SMILESCc1[nH]nc(CCC(=O)N2CCC(C(C)N3CCOCC3)CC2)c1C
InChIInChI=1S/C19H32N4O2/c1-14-15(2)20-21-18(14)4-5-19(24)23-8-6-17(7-9-23)16(3)22-10-12-25-13-11-22/h16-17H,4-13H2,1-3H3,(H,20,21)
InChIKeyJNMYGAJSBQJBOW-UHFFFAOYSA-N
XLogP1.92
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]propan-1-one (CID 56893074) is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]propan-1-one is Cc1[nH]nc(CCC(=O)N2CCC(C(C)N3CCOCC3)CC2)c1C.
What is the InChIKey of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]propan-1-one?
The InChIKey is JNMYGAJSBQJBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-14-15(2)20-21-18(14)4-5-19(24)23-8-6-17(7-9-23)16(3)22-10-12-25-13-11-22/h16-17H,4-13H2,1-3H3,(H,20,21).
What are the key properties of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]propan-1-one?
3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]propan-1-one has a molecular weight of 348.49 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 56893074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).