2-oxo-N-propan-2-yl-2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]acetamide

C17H27N5O3 — CID 47016420

IUPAC2-oxo-N-propan-2-yl-2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]acetamide
SMILESCc1nn(C)c(C)c1CC(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1
InChIInChI=1S/C17H27N5O3/c1-11(2)18-16(24)17(25)22-8-6-21(7-9-22)15(23)10-14-12(3)19-20(5)13(14)4/h11H,6-10H2,1-5H3,(H,18,24)
InChIKeyDYHSWBXJIJBNCD-UHFFFAOYSA-N
MW349.44 g/mol
LogP-0.23
Rot. Bonds3

About 2-oxo-N-propan-2-yl-2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]acetamide

2-oxo-N-propan-2-yl-2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]acetamide (PubChem CID 47016420) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-oxo-N-propan-2-yl-2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-oxo-N-propan-2-yl-2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]acetamide
PubChem CID47016420
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name2-oxo-N-propan-2-yl-2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]acetamide
SMILESCc1nn(C)c(C)c1CC(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1
InChIInChI=1S/C17H27N5O3/c1-11(2)18-16(24)17(25)22-8-6-21(7-9-22)15(23)10-14-12(3)19-20(5)13(14)4/h11H,6-10H2,1-5H3,(H,18,24)
InChIKeyDYHSWBXJIJBNCD-UHFFFAOYSA-N
XLogP-0.23
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-pyrrolidin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 60705236
1-piperidin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 60705889
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 36515196
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 119518527
1-(1,4-diazepan-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 110834074
2-[1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidin-4-yl]acetic acid
CID 79612727
4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]-1,4-diazepan-2-one
CID 62897203
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 24668827
1-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 56819123
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]butanoic acid
CID 43360913
1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 124963134
1-(2-methylmorpholin-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 43041355

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-propan-2-yl-2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-oxo-N-propan-2-yl-2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]acetamide (CID 47016420) is 2-oxo-N-propan-2-yl-2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-oxo-N-propan-2-yl-2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-oxo-N-propan-2-yl-2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]acetamide is Cc1nn(C)c(C)c1CC(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1.
What is the InChIKey of 2-oxo-N-propan-2-yl-2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]acetamide?
The InChIKey is DYHSWBXJIJBNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-11(2)18-16(24)17(25)22-8-6-21(7-9-22)15(23)10-14-12(3)19-20(5)13(14)4/h11H,6-10H2,1-5H3,(H,18,24).
What are the key properties of 2-oxo-N-propan-2-yl-2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]acetamide?
2-oxo-N-propan-2-yl-2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]acetamide has a molecular weight of 349.44 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-propan-2-yl-2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 47016420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).