1-(1-methylpyrazol-4-yl)-3-piperidin-4-yloxypropan-2-one

C12H19N3O2 — CID 116571131

IUPAC1-(1-methylpyrazol-4-yl)-3-piperidin-4-yloxypropan-2-one
SMILESCn1cc(CC(=O)COC2CCNCC2)cn1
InChIInChI=1S/C12H19N3O2/c1-15-8-10(7-14-15)6-11(16)9-17-12-2-4-13-5-3-12/h7-8,12-13H,2-6,9H2,1H3
InChIKeyDOFUCLTXNFDWHF-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.30
Rot. Bonds5

About 1-(1-methylpyrazol-4-yl)-3-piperidin-4-yloxypropan-2-one

1-(1-methylpyrazol-4-yl)-3-piperidin-4-yloxypropan-2-one (PubChem CID 116571131) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-3-piperidin-4-yloxypropan-2-one.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-3-piperidin-4-yloxypropan-2-one
PubChem CID116571131
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-(1-methylpyrazol-4-yl)-3-piperidin-4-yloxypropan-2-one
SMILESCn1cc(CC(=O)COC2CCNCC2)cn1
InChIInChI=1S/C12H19N3O2/c1-15-8-10(7-14-15)6-11(16)9-17-12-2-4-13-5-3-12/h7-8,12-13H,2-6,9H2,1H3
InChIKeyDOFUCLTXNFDWHF-UHFFFAOYSA-N
XLogP0.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-methylpyrazol-4-yl)ethyl]-2-piperidin-4-yloxyacetamide
CID 80682195
1-(5-ethyl-2-pyridinyl)-3-piperidin-4-yloxypropan-2-one
CID 116570986
1-(cyclopropylmethylamino)-3-(1-methylpyrazol-4-yl)propan-2-one
CID 116557707
2-(1-methylpyrazol-4-yl)-N-piperidin-4-yl-N-propylacetamide
CID 119823248
1-methyl-4-(2-pyrrolidin-3-yloxyethyl)pyrazole
CID 103004028
1-(1,3-diethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one
CID 116571150
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one
CID 116571176
1-ethylsulfanyl-3-(1-methylpyrazol-4-yl)propan-2-one
CID 65130546
1-(1-methylpyrazol-4-yl)-4-piperidin-2-ylbutan-2-one
CID 116563728
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-piperidin-4-yloxypropan-2-one
CID 116571205
1-(4-methoxy-1-methylpyrazol-5-yl)-2-piperidin-4-yloxyethanone
CID 114669257
N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxamide
CID 80682539

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-3-piperidin-4-yloxypropan-2-one?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-3-piperidin-4-yloxypropan-2-one (CID 116571131) is 1-(1-methylpyrazol-4-yl)-3-piperidin-4-yloxypropan-2-one.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-3-piperidin-4-yloxypropan-2-one?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-3-piperidin-4-yloxypropan-2-one is Cn1cc(CC(=O)COC2CCNCC2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-3-piperidin-4-yloxypropan-2-one?
The InChIKey is DOFUCLTXNFDWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-15-8-10(7-14-15)6-11(16)9-17-12-2-4-13-5-3-12/h7-8,12-13H,2-6,9H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-3-piperidin-4-yloxypropan-2-one?
1-(1-methylpyrazol-4-yl)-3-piperidin-4-yloxypropan-2-one has a molecular weight of 237.30 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-3-piperidin-4-yloxypropan-2-one is sourced from PubChem (CID 116571131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).