2-(2-methoxyethylamino)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone

C13H22N4O2 — CID 119874083

IUPAC2-(2-methoxyethylamino)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESCOCCNCC(=O)N1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C13H22N4O2/c1-19-9-6-14-10-13(18)17-7-3-11(4-8-17)12-2-5-15-16-12/h2,5,11,14H,3-4,6-10H2,1H3,(H,15,16)
InChIKeyYIZYKLPLMPXGGB-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.35
Rot. Bonds6

About 2-(2-methoxyethylamino)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone

2-(2-methoxyethylamino)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 119874083) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
PubChem CID119874083
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-(2-methoxyethylamino)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESCOCCNCC(=O)N1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C13H22N4O2/c1-19-9-6-14-10-13(18)17-7-3-11(4-8-17)12-2-5-15-16-12/h2,5,11,14H,3-4,6-10H2,1H3,(H,15,16)
InChIKeyYIZYKLPLMPXGGB-UHFFFAOYSA-N
XLogP0.35
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 79281663
2-(2-methoxyethylamino)-1-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119675101
1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxylic acid
CID 79280780
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 107217441
1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119724483
N-(2-methoxy-3,3-dimethylbutyl)-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 75442625
2-(2-methoxyethylamino)-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103532856
1-(4-tert-butylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79280949
3-(propan-2-ylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 54873257
1-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 79281115
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 112625104
2-(2-methoxyethylamino)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone
CID 119698293

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methoxyethylamino)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone (CID 119874083) is 2-(2-methoxyethylamino)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methoxyethylamino)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methoxyethylamino)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone is COCCNCC(=O)N1CCC(c2ccn[nH]2)CC1.
What is the InChIKey of 2-(2-methoxyethylamino)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is YIZYKLPLMPXGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-19-9-6-14-10-13(18)17-7-3-11(4-8-17)12-2-5-15-16-12/h2,5,11,14H,3-4,6-10H2,1H3,(H,15,16).
What are the key properties of 2-(2-methoxyethylamino)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
2-(2-methoxyethylamino)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 266.34 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 119874083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).