2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-phenylacetamide

C17H23N3O3 — CID 110282899

IUPAC2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-phenylacetamide
SMILESO=C(CC1NCCN(CC2CCCO2)C1=O)Nc1ccccc1
InChIInChI=1S/C17H23N3O3/c21-16(19-13-5-2-1-3-6-13)11-15-17(22)20(9-8-18-15)12-14-7-4-10-23-14/h1-3,5-6,14-15,18H,4,7-12H2,(H,19,21)
InChIKeyYMBGBIQXPZXAME-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.99
Rot. Bonds5

About 2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-phenylacetamide

2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-phenylacetamide (PubChem CID 110282899) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-phenylacetamide
PubChem CID110282899
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-phenylacetamide
SMILESO=C(CC1NCCN(CC2CCCO2)C1=O)Nc1ccccc1
InChIInChI=1S/C17H23N3O3/c21-16(19-13-5-2-1-3-6-13)11-15-17(22)20(9-8-18-15)12-14-7-4-10-23-14/h1-3,5-6,14-15,18H,4,7-12H2,(H,19,21)
InChIKeyYMBGBIQXPZXAME-UHFFFAOYSA-N
XLogP0.99
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-phenylacetamide;hydrochloride
CID 110282898
2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 110283482
N-ethyl-2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]acetamide
CID 110282877
2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-propan-2-ylacetamide;hydrochloride
CID 110282902
2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-N-(4-chlorophenyl)acetamide
CID 7188924
N,N-diethyl-2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]acetamide
CID 110282833
2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-methoxyphenyl)acetamide;hydrochloride
CID 110283203
2-[(5R)-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 7432493
2-[(3R)-2-oxomorpholin-3-yl]-N-phenylacetamide
CID 41474429
2-[[5-oxo-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 51141494
2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 110282985
2-[(2R)-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 940556

Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-phenylacetamide (CID 110282899) is 2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-phenylacetamide is O=C(CC1NCCN(CC2CCCO2)C1=O)Nc1ccccc1.
What is the InChIKey of 2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-phenylacetamide?
The InChIKey is YMBGBIQXPZXAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-16(19-13-5-2-1-3-6-13)11-15-17(22)20(9-8-18-15)12-14-7-4-10-23-14/h1-3,5-6,14-15,18H,4,7-12H2,(H,19,21).
What are the key properties of 2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-phenylacetamide?
2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-phenylacetamide has a molecular weight of 317.39 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-phenylacetamide is sourced from PubChem (CID 110282899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).