[4-(2-methoxyethoxy)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone

C12H19N3O3 — CID 77080633

IUPAC[4-(2-methoxyethoxy)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESCOCCOC1CCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C12H19N3O3/c1-17-6-7-18-11-2-4-15(5-3-11)12(16)10-8-13-14-9-10/h8-9,11H,2-7H2,1H3,(H,13,14)
InChIKeyADGVFEYSWKGWMY-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.68
Rot. Bonds5

About [4-(2-methoxyethoxy)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone

[4-(2-methoxyethoxy)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone (PubChem CID 77080633) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is [4-(2-methoxyethoxy)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyethoxy)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
PubChem CID77080633
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name[4-(2-methoxyethoxy)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESCOCCOC1CCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C12H19N3O3/c1-17-6-7-18-11-2-4-15(5-3-11)12(16)10-8-13-14-9-10/h8-9,11H,2-7H2,1H3,(H,13,14)
InChIKeyADGVFEYSWKGWMY-UHFFFAOYSA-N
XLogP0.68
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1H-pyrazole-4-carbonyl)piperidin-4-amine
CID 43565570
N-{[4-(dimethylamino)tetrahydro-2H-pyran-4-yl]methyl}-1H-pyrazole-4-carboxamide
CID 77086728
N-methyl-N-(4-morpholin-4-ylbutyl)-1H-pyrazole-4-carboxamide
CID 77092439
1,5-anhydro-2,4-dideoxy-3-O-[2-(dimethylamino)ethyl]-4-[(1H-pyrazol-4-ylcarbonyl)amino]-D-erythro-pentitol
CID 91780194
2-(1H-pyrazol-4-ylcarbonyl)-9-oxa-2-azaspiro[5.5]undecane
CID 118771949
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 124508547
N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 125526617
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1H-pyrazole-4-carboxamide
CID 132345142
N-(3-ethoxy-2,2-diethylcyclobutyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 136513488
Morpholino(1H-pyrazol-4-yl)methanone
CID 20784942
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 54876944
(4,4-difluoropiperidin-1-yl)(1H-pyrazol-4-yl)methanone
CID 121184606

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethoxy)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone?
The IUPAC name of [4-(2-methoxyethoxy)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone (CID 77080633) is [4-(2-methoxyethoxy)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [4-(2-methoxyethoxy)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for [4-(2-methoxyethoxy)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone is COCCOC1CCN(C(=O)c2cn[nH]c2)CC1.
What is the InChIKey of [4-(2-methoxyethoxy)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone?
The InChIKey is ADGVFEYSWKGWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-17-6-7-18-11-2-4-15(5-3-11)12(16)10-8-13-14-9-10/h8-9,11H,2-7H2,1H3,(H,13,14).
What are the key properties of [4-(2-methoxyethoxy)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone?
[4-(2-methoxyethoxy)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone has a molecular weight of 253.30 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethoxy)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 77080633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).