6-[2-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one

C20H24N4O3 — CID 56744741

IUPAC6-[2-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one
SMILESCCc1cn[nH]c1C1CCN(C(=O)Cc2ccc3c(c2)NC(=O)CO3)CC1
InChIInChI=1S/C20H24N4O3/c1-2-14-11-21-23-20(14)15-5-7-24(8-6-15)19(26)10-13-3-4-17-16(9-13)22-18(25)12-27-17/h3-4,9,11,15H,2,5-8,10,12H2,1H3,(H,21,23)(H,22,25)
InChIKeyMLGGOXIHKAGMGJ-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.25
Rot. Bonds4

About 6-[2-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one

6-[2-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one (PubChem CID 56744741) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 6-[2-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[2-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one
PubChem CID56744741
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name6-[2-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one
SMILESCCc1cn[nH]c1C1CCN(C(=O)Cc2ccc3c(c2)NC(=O)CO3)CC1
InChIInChI=1S/C20H24N4O3/c1-2-14-11-21-23-20(14)15-5-7-24(8-6-15)19(26)10-13-3-4-17-16(9-13)22-18(25)12-27-17/h3-4,9,11,15H,2,5-8,10,12H2,1H3,(H,21,23)(H,22,25)
InChIKeyMLGGOXIHKAGMGJ-UHFFFAOYSA-N
XLogP2.25
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[2-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one with MolForge

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Related Compounds

6-(2-oxo-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one
CID 59802876
6-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one
CID 110801707
6-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 110801255
6-[2-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one
CID 29088522
6-[2-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one
CID 95551952
7-(2-oxo-2-piperidin-1-ylethyl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 110770706
6-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-4H-1,4-benzoxazin-3-one
CID 110390255
6-(3-chloro-2-oxopropyl)-4H-1,4-benzoxazin-3-one
CID 140510759
6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 53064938
2-(3,4-dihydro-2H-chromen-6-yl)-1-[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 110082922
4-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazine-1-carboxylic acid
CID 66716813
2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetohydrazide
CID 19002730

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[2-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one (CID 56744741) is 6-[2-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[2-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[2-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one is CCc1cn[nH]c1C1CCN(C(=O)Cc2ccc3c(c2)NC(=O)CO3)CC1.
What is the InChIKey of 6-[2-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is MLGGOXIHKAGMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-2-14-11-21-23-20(14)15-5-7-24(8-6-15)19(26)10-13-3-4-17-16(9-13)22-18(25)12-27-17/h3-4,9,11,15H,2,5-8,10,12H2,1H3,(H,21,23)(H,22,25).
What are the key properties of 6-[2-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one?
6-[2-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 368.44 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 56744741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).