N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-1-yl]acetamide

C23H29N5O4 — CID 46953243

IUPACN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-1-yl]acetamide
SMILESCCn1nc(C)c(NC(=O)CN2CCC(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1C
InChIInChI=1S/C23H29N5O4/c1-4-28-15(3)22(14(2)26-28)25-20(29)12-27-9-7-16(8-10-27)23(31)17-5-6-19-18(11-17)24-21(30)13-32-19/h5-6,11,16H,4,7-10,12-13H2,1-3H3,(H,24,30)(H,25,29)
InChIKeyPLOMJGQDJXSHOA-UHFFFAOYSA-N
MW439.52 g/mol
LogP2.38
Rot. Bonds6

About N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-1-yl]acetamide

N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-1-yl]acetamide (PubChem CID 46953243) has the molecular formula C23H29N5O4 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-1-yl]acetamide
PubChem CID46953243
Molecular FormulaC23H29N5O4
Molecular Weight439.52 g/mol
Exact Mass439.22
IUPAC NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-1-yl]acetamide
SMILESCCn1nc(C)c(NC(=O)CN2CCC(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1C
InChIInChI=1S/C23H29N5O4/c1-4-28-15(3)22(14(2)26-28)25-20(29)12-27-9-7-16(8-10-27)23(31)17-5-6-19-18(11-17)24-21(30)13-32-19/h5-6,11,16H,4,7-10,12-13H2,1-3H3,(H,24,30)(H,25,29)
InChIKeyPLOMJGQDJXSHOA-UHFFFAOYSA-N
XLogP2.38
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

6-[1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 86886035
1-[2-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-1-yl]acetyl]piperidine-4-carboxamide
CID 95800732
6-[1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 46960669
6-(oxane-4-carbonyl)-4H-1,4-benzoxazin-3-one
CID 55132753
6-(piperidine-4-carbonyl)-4H-1,4-benzoxazin-3-one
CID 43120478
N-[4-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 46953247
6-[1-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 86886037
6-[1-[(2R)-oxolane-2-carbonyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 51589221
6-[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 46960676
6-[1-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 51598794
N-(1,3-benzodioxol-5-ylmethyl)-4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidine-1-carboxamide
CID 51134933
6-[1-(4-methyl-2-nitrophenyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 133389563

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-1-yl]acetamide (CID 46953243) is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-1-yl]acetamide is CCn1nc(C)c(NC(=O)CN2CCC(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1C.
What is the InChIKey of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-1-yl]acetamide?
The InChIKey is PLOMJGQDJXSHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4/c1-4-28-15(3)22(14(2)26-28)25-20(29)12-27-9-7-16(8-10-27)23(31)17-5-6-19-18(11-17)24-21(30)13-32-19/h5-6,11,16H,4,7-10,12-13H2,1-3H3,(H,24,30)(H,25,29).
What are the key properties of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-1-yl]acetamide?
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-1-yl]acetamide has a molecular weight of 439.52 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 46953243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).