N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-propan-2-ylacetamide

C17H29N5O3 — CID 56895504

IUPACN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-propan-2-ylacetamide
SMILESCCc1nnc(CN(C(=O)CC2C(=O)NCCN2C(C)C)C(C)C)o1
InChIInChI=1S/C17H29N5O3/c1-6-14-19-20-15(25-14)10-22(12(4)5)16(23)9-13-17(24)18-7-8-21(13)11(2)3/h11-13H,6-10H2,1-5H3,(H,18,24)
InChIKeyAHLPIIYQBDIGKK-UHFFFAOYSA-N
MW351.45 g/mol
LogP0.97
Rot. Bonds7

About N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-propan-2-ylacetamide

N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-propan-2-ylacetamide (PubChem CID 56895504) has the molecular formula C17H29N5O3 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-propan-2-ylacetamide
PubChem CID56895504
Molecular FormulaC17H29N5O3
Molecular Weight351.45 g/mol
Exact Mass351.23
IUPAC NameN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-propan-2-ylacetamide
SMILESCCc1nnc(CN(C(=O)CC2C(=O)NCCN2C(C)C)C(C)C)o1
InChIInChI=1S/C17H29N5O3/c1-6-14-19-20-15(25-14)10-22(12(4)5)16(23)9-13-17(24)18-7-8-21(13)11(2)3/h11-13H,6-10H2,1-5H3,(H,18,24)
InChIKeyAHLPIIYQBDIGKK-UHFFFAOYSA-N
XLogP0.97
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-propan-2-ylacetamide
CID 95124995
N-(2-hydroxyethyl)-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-propylacetamide
CID 50950533
N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95729488
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95125941
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
CID 45173210
N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 56905914
2-(2-ethyl-3-oxopiperazin-1-yl)propanoic acid
CID 63602723
N-methyl-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-(quinolin-3-ylmethyl)acetamide
CID 95209407
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropanamide
CID 74238161
N-butyl-2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 95722246
methyl 2-methyl-2-[[2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetyl]amino]propanoate
CID 95124713
2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 56896917

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-propan-2-ylacetamide (CID 56895504) is N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-propan-2-ylacetamide is CCc1nnc(CN(C(=O)CC2C(=O)NCCN2C(C)C)C(C)C)o1.
What is the InChIKey of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-propan-2-ylacetamide?
The InChIKey is AHLPIIYQBDIGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O3/c1-6-14-19-20-15(25-14)10-22(12(4)5)16(23)9-13-17(24)18-7-8-21(13)11(2)3/h11-13H,6-10H2,1-5H3,(H,18,24).
What are the key properties of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-propan-2-ylacetamide?
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-propan-2-ylacetamide has a molecular weight of 351.45 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 56895504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).