2-amino-2-(oxan-4-yl)-1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone

C15H24N4O2 — CID 120798878

IUPAC2-amino-2-(oxan-4-yl)-1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone
SMILESNC(C(=O)N1CCC(c2cn[nH]c2)CC1)C1CCOCC1
InChIInChI=1S/C15H24N4O2/c16-14(12-3-7-21-8-4-12)15(20)19-5-1-11(2-6-19)13-9-17-18-10-13/h9-12,14H,1-8,16H2,(H,17,18)
InChIKeyDAJFXFOYVIEYDF-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.87
Rot. Bonds3

About 2-amino-2-(oxan-4-yl)-1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone

2-amino-2-(oxan-4-yl)-1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone (PubChem CID 120798878) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone
PubChem CID120798878
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-amino-2-(oxan-4-yl)-1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone
SMILESNC(C(=O)N1CCC(c2cn[nH]c2)CC1)C1CCOCC1
InChIInChI=1S/C15H24N4O2/c16-14(12-3-7-21-8-4-12)15(20)19-5-1-11(2-6-19)13-9-17-18-10-13/h9-12,14H,1-8,16H2,(H,17,18)
InChIKeyDAJFXFOYVIEYDF-UHFFFAOYSA-N
XLogP0.87
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-(3-methoxyphenyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 120791142
2-amino-2-(oxan-4-yl)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
CID 120800942
2-amino-1-(4-cyclopentyloxypiperidin-1-yl)-2-(oxan-4-yl)ethanone
CID 120791276
2-amino-1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-(oxan-4-yl)ethanone
CID 120790062
2-amino-1-[(3S)-3-methoxypyrrolidin-1-yl]-2-(oxan-4-yl)ethanone
CID 120793854
2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120796792
2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-2-cyclopropylethanone
CID 76725285
2-amino-1-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 120798570
2-amino-2-(oxan-4-yl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 120789992
2-amino-2-cyclopentyl-1-morpholin-4-ylethanone
CID 54288734
2-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 120798264
2-phenyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 86773370

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-2-(oxan-4-yl)-1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone (CID 120798878) is 2-amino-2-(oxan-4-yl)-1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone is NC(C(=O)N1CCC(c2cn[nH]c2)CC1)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone?
The InChIKey is DAJFXFOYVIEYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c16-14(12-3-7-21-8-4-12)15(20)19-5-1-11(2-6-19)13-9-17-18-10-13/h9-12,14H,1-8,16H2,(H,17,18).
What are the key properties of 2-amino-2-(oxan-4-yl)-1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone?
2-amino-2-(oxan-4-yl)-1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone has a molecular weight of 292.38 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 120798878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).