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

C19H32N4O3 — CID 70712891

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
SMILESCc1n[nH]c(C)c1CCC(=O)N1C[C@H](CO)C[C@H](CN2CCOCC2)C1
InChIInChI=1S/C19H32N4O3/c1-14-18(15(2)21-20-14)3-4-19(25)23-11-16(9-17(12-23)13-24)10-22-5-7-26-8-6-22/h16-17,24H,3-13H2,1-2H3,(H,20,21)/t16-,17-/m1/s1
InChIKeyVANGPCIJVCBOGE-IAGOWNOFSA-N
MW364.49 g/mol
LogP0.75
Rot. Bonds6

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

3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one (PubChem CID 70712891) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
PubChem CID70712891
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
SMILESCc1n[nH]c(C)c1CCC(=O)N1C[C@H](CO)C[C@H](CN2CCOCC2)C1
InChIInChI=1S/C19H32N4O3/c1-14-18(15(2)21-20-14)3-4-19(25)23-11-16(9-17(12-23)13-24)10-22-5-7-26-8-6-22/h16-17,24H,3-13H2,1-2H3,(H,20,21)/t16-,17-/m1/s1
InChIKeyVANGPCIJVCBOGE-IAGOWNOFSA-N
XLogP0.75
TPSA81.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one (CID 70712891) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one is Cc1n[nH]c(C)c1CCC(=O)N1C[C@H](CO)C[C@H](CN2CCOCC2)C1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one?
The InChIKey is VANGPCIJVCBOGE-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-14-18(15(2)21-20-14)3-4-19(25)23-11-16(9-17(12-23)13-24)10-22-5-7-26-8-6-22/h16-17,24H,3-13H2,1-2H3,(H,20,21)/t16-,17-/m1/s1.
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one has a molecular weight of 364.49 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 70712891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).