N-(oxan-4-yl)-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide

C13H22N4O2 — CID 63099547

IUPACN-(oxan-4-yl)-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide
SMILESCC(Cn1cccn1)NCC(=O)NC1CCOCC1
InChIInChI=1S/C13H22N4O2/c1-11(10-17-6-2-5-15-17)14-9-13(18)16-12-3-7-19-8-4-12/h2,5-6,11-12,14H,3-4,7-10H2,1H3,(H,16,18)
InChIKeyRGBLMTKCEDUIMF-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.16
Rot. Bonds6

About N-(oxan-4-yl)-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide

N-(oxan-4-yl)-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide (PubChem CID 63099547) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide
PubChem CID63099547
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-(oxan-4-yl)-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide
SMILESCC(Cn1cccn1)NCC(=O)NC1CCOCC1
InChIInChI=1S/C13H22N4O2/c1-11(10-17-6-2-5-15-17)14-9-13(18)16-12-3-7-19-8-4-12/h2,5-6,11-12,14H,3-4,7-10H2,1H3,(H,16,18)
InChIKeyRGBLMTKCEDUIMF-UHFFFAOYSA-N
XLogP0.16
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethylpiperidin-4-yl)-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide
CID 53556864
N-(1-ethylpiperidin-4-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 53590070
N-(oxan-4-yl)-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53590105
N-(2-acetamidoethyl)-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 53599673
N-(1-ethylpiperidin-4-yl)-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53618683
N-(oxan-4-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 53619702
2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
CID 53626853
2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]-N-(oxan-4-yl)acetamide
CID 56780299
N-cyclohexyl-2-(1H-pyrazol-1-yl)acetamide
CID 39723150
N~1~-{(3S,4R)-4-[(Dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-YL}-2-(4-methyl-1H-pyrazol-1-YL)acetamide
CID 91923207
N-(oxolan-2-ylmethyl)-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 56781067
4-[2-(1-Pyrazol-1-ylpropan-2-ylamino)acetyl]piperazin-2-one
CID 72140813

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide?
The IUPAC name of N-(oxan-4-yl)-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide (CID 63099547) is N-(oxan-4-yl)-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide.
What is the SMILES notation for N-(oxan-4-yl)-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide?
The canonical SMILES for N-(oxan-4-yl)-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide is CC(Cn1cccn1)NCC(=O)NC1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide?
The InChIKey is RGBLMTKCEDUIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-11(10-17-6-2-5-15-17)14-9-13(18)16-12-3-7-19-8-4-12/h2,5-6,11-12,14H,3-4,7-10H2,1H3,(H,16,18).
What are the key properties of N-(oxan-4-yl)-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide?
N-(oxan-4-yl)-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide has a molecular weight of 266.34 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide is sourced from PubChem (CID 63099547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).