2-[3-(3,5-dimethylpiperidine-1-carbonyl)-1-methylpyrazol-5-yl]oxy-1-pyrrolidin-1-ylethanone

C18H28N4O3 — CID 71687635

IUPAC2-[3-(3,5-dimethylpiperidine-1-carbonyl)-1-methylpyrazol-5-yl]oxy-1-pyrrolidin-1-ylethanone
SMILESCC1CC(C)CN(C(=O)c2cc(OCC(=O)N3CCCC3)n(C)n2)C1
InChIInChI=1S/C18H28N4O3/c1-13-8-14(2)11-22(10-13)18(24)15-9-17(20(3)19-15)25-12-16(23)21-6-4-5-7-21/h9,13-14H,4-8,10-12H2,1-3H3
InChIKeyVBKFKECWAKNDDI-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.54
Rot. Bonds4

About 2-[3-(3,5-dimethylpiperidine-1-carbonyl)-1-methylpyrazol-5-yl]oxy-1-pyrrolidin-1-ylethanone

2-[3-(3,5-dimethylpiperidine-1-carbonyl)-1-methylpyrazol-5-yl]oxy-1-pyrrolidin-1-ylethanone (PubChem CID 71687635) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpiperidine-1-carbonyl)-1-methylpyrazol-5-yl]oxy-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-(3,5-dimethylpiperidine-1-carbonyl)-1-methylpyrazol-5-yl]oxy-1-pyrrolidin-1-ylethanone
PubChem CID71687635
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name2-[3-(3,5-dimethylpiperidine-1-carbonyl)-1-methylpyrazol-5-yl]oxy-1-pyrrolidin-1-ylethanone
SMILESCC1CC(C)CN(C(=O)c2cc(OCC(=O)N3CCCC3)n(C)n2)C1
InChIInChI=1S/C18H28N4O3/c1-13-8-14(2)11-22(10-13)18(24)15-9-17(20(3)19-15)25-12-16(23)21-6-4-5-7-21/h9,13-14H,4-8,10-12H2,1-3H3
InChIKeyVBKFKECWAKNDDI-UHFFFAOYSA-N
XLogP1.54
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-(3,5-dimethylpiperidine-1-carbonyl)-1-methylpyrazol-5-yl]oxy-1-pyrrolidin-1-ylethanone with MolForge

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Related Compounds

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1-(3,5-dimethylpiperidin-1-yl)-2-pyridin-2-yloxyethanone
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2-[3-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrazol-5-yl]oxy-N,N-dimethylacetamide
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(3,5-dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51072597
(3,5-dimethylpiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 56725204
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenoxyethanone
CID 670243
2-(2,6-dichlorophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
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(3,5-dimethylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone
CID 42910146
3-(3,5-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 5227998
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 112775488
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[(6-methyl-3-pyridinyl)oxy]ethanone
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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpiperidine-1-carbonyl)-1-methylpyrazol-5-yl]oxy-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[3-(3,5-dimethylpiperidine-1-carbonyl)-1-methylpyrazol-5-yl]oxy-1-pyrrolidin-1-ylethanone (CID 71687635) is 2-[3-(3,5-dimethylpiperidine-1-carbonyl)-1-methylpyrazol-5-yl]oxy-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[3-(3,5-dimethylpiperidine-1-carbonyl)-1-methylpyrazol-5-yl]oxy-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[3-(3,5-dimethylpiperidine-1-carbonyl)-1-methylpyrazol-5-yl]oxy-1-pyrrolidin-1-ylethanone is CC1CC(C)CN(C(=O)c2cc(OCC(=O)N3CCCC3)n(C)n2)C1.
What is the InChIKey of 2-[3-(3,5-dimethylpiperidine-1-carbonyl)-1-methylpyrazol-5-yl]oxy-1-pyrrolidin-1-ylethanone?
The InChIKey is VBKFKECWAKNDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-13-8-14(2)11-22(10-13)18(24)15-9-17(20(3)19-15)25-12-16(23)21-6-4-5-7-21/h9,13-14H,4-8,10-12H2,1-3H3.
What are the key properties of 2-[3-(3,5-dimethylpiperidine-1-carbonyl)-1-methylpyrazol-5-yl]oxy-1-pyrrolidin-1-ylethanone?
2-[3-(3,5-dimethylpiperidine-1-carbonyl)-1-methylpyrazol-5-yl]oxy-1-pyrrolidin-1-ylethanone has a molecular weight of 348.45 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylpiperidine-1-carbonyl)-1-methylpyrazol-5-yl]oxy-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 71687635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).