1-(1,3-diethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one

C15H25N3O2 — CID 116571150

IUPAC1-(1,3-diethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one
SMILESCCc1cc(CC(=O)COC2CCNCC2)n(CC)n1
InChIInChI=1S/C15H25N3O2/c1-3-12-9-13(18(4-2)17-12)10-14(19)11-20-15-5-7-16-8-6-15/h9,15-16H,3-8,10-11H2,1-2H3
InChIKeyRLEBRUUJUHXJBN-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.35
Rot. Bonds7

About 1-(1,3-diethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one

1-(1,3-diethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one (PubChem CID 116571150) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one
PubChem CID116571150
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-(1,3-diethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one
SMILESCCc1cc(CC(=O)COC2CCNCC2)n(CC)n1
InChIInChI=1S/C15H25N3O2/c1-3-12-9-13(18(4-2)17-12)10-14(19)11-20-15-5-7-16-8-6-15/h9,15-16H,3-8,10-11H2,1-2H3
InChIKeyRLEBRUUJUHXJBN-UHFFFAOYSA-N
XLogP1.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-ethyl-2-pyridinyl)-3-piperidin-4-yloxypropan-2-one
CID 116570986
4-(cyclopropylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 116559398
2-(1,3-diethylpyrazol-5-yl)-1-pyrrolidin-2-ylethanone
CID 116547487
4-amino-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 116550797
1-(1-methylpyrazol-4-yl)-3-piperidin-4-yloxypropan-2-one
CID 116571131
1-(1,3-diethylpyrazol-5-yl)heptan-2-one
CID 115778877
1-(1,3-diethylpyrazol-5-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-one
CID 105111236
1-(1,3-diethylpyrazol-5-yl)-4-(methylamino)butan-2-one
CID 116561204
4-(diethylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 79076883
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one
CID 116571176
1-(1,3-diethylpyrazol-5-yl)-3-(2-methoxyethylamino)propan-2-one
CID 116591620
1-(1,3-diethylpyrazol-5-yl)-3-methoxybutan-2-one
CID 79617483

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one (CID 116571150) is 1-(1,3-diethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one is CCc1cc(CC(=O)COC2CCNCC2)n(CC)n1.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one?
The InChIKey is RLEBRUUJUHXJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-12-9-13(18(4-2)17-12)10-14(19)11-20-15-5-7-16-8-6-15/h9,15-16H,3-8,10-11H2,1-2H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one?
1-(1,3-diethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one has a molecular weight of 279.38 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one is sourced from PubChem (CID 116571150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).