1-(4-methoxypiperidin-1-yl)-3-pyrazol-1-ylpropan-1-one

C12H19N3O2 — CID 71943645

IUPAC1-(4-methoxypiperidin-1-yl)-3-pyrazol-1-ylpropan-1-one
SMILESCOC1CCN(C(=O)CCn2cccn2)CC1
InChIInChI=1S/C12H19N3O2/c1-17-11-3-8-14(9-4-11)12(16)5-10-15-7-2-6-13-15/h2,6-7,11H,3-5,8-10H2,1H3
InChIKeyCBOOLGUHVLYVMF-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.91
Rot. Bonds4

About 1-(4-methoxypiperidin-1-yl)-3-pyrazol-1-ylpropan-1-one

1-(4-methoxypiperidin-1-yl)-3-pyrazol-1-ylpropan-1-one (PubChem CID 71943645) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(4-methoxypiperidin-1-yl)-3-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-methoxypiperidin-1-yl)-3-pyrazol-1-ylpropan-1-one
PubChem CID71943645
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-(4-methoxypiperidin-1-yl)-3-pyrazol-1-ylpropan-1-one
SMILESCOC1CCN(C(=O)CCn2cccn2)CC1
InChIInChI=1S/C12H19N3O2/c1-17-11-3-8-14(9-4-11)12(16)5-10-15-7-2-6-13-15/h2,6-7,11H,3-5,8-10H2,1H3
InChIKeyCBOOLGUHVLYVMF-UHFFFAOYSA-N
XLogP0.91
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-Dimethylmorpholin-4-yl)-2-pyrazol-1-ylethanone
CID 51074299
1-[4-(Diethylaminomethyl)piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 53519876
N-cyclopentyl-3-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]propanamide
CID 53564859
Tert-butyl 4-(3-pyrazol-1-ylpropanoyl)piperazine-1-carboxylate
CID 56810681
isopropyl 2-[2-(1H-pyrazol-1-yl)ethyl]-1-piperidinecarboxylate
CID 56888488
1-(3-ethoxypropanoyl)-2-[2-(1H-pyrazol-1-yl)ethyl]piperidine
CID 70746805
1-(4-Propanoylpiperazin-1-yl)-3-pyrazol-1-ylpropan-1-one
CID 71934218
1-[4-(2-Pyrazol-1-ylacetyl)piperazin-1-yl]propan-1-one
CID 71934220
1-[4-(2-Methylpropyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 71943649
1-[(2~{S})-2-methylmorpholin-4-yl]-2-pyrazol-1-yl-ethanone
CID 94171767
1-(4-(2-(1H-pyrazol-1-yl)ethyl)piperazin-1-yl)ethanone
CID 52331542
ethyl 4-(2-(1H-pyrazol-1-yl)ethyl)piperazine-1-carboxylate
CID 52331543

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypiperidin-1-yl)-3-pyrazol-1-ylpropan-1-one?
The IUPAC name of 1-(4-methoxypiperidin-1-yl)-3-pyrazol-1-ylpropan-1-one (CID 71943645) is 1-(4-methoxypiperidin-1-yl)-3-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-methoxypiperidin-1-yl)-3-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 1-(4-methoxypiperidin-1-yl)-3-pyrazol-1-ylpropan-1-one is COC1CCN(C(=O)CCn2cccn2)CC1.
What is the InChIKey of 1-(4-methoxypiperidin-1-yl)-3-pyrazol-1-ylpropan-1-one?
The InChIKey is CBOOLGUHVLYVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-17-11-3-8-14(9-4-11)12(16)5-10-15-7-2-6-13-15/h2,6-7,11H,3-5,8-10H2,1H3.
What are the key properties of 1-(4-methoxypiperidin-1-yl)-3-pyrazol-1-ylpropan-1-one?
1-(4-methoxypiperidin-1-yl)-3-pyrazol-1-ylpropan-1-one has a molecular weight of 237.30 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypiperidin-1-yl)-3-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 71943645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).