2-[4-(2-phenyloxolane-2-carbonyl)piperazin-1-yl]acetamide

C17H23N3O3 — CID 136562891

IUPAC2-[4-(2-phenyloxolane-2-carbonyl)piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(C(=O)C2(c3ccccc3)CCCO2)CC1
InChIInChI=1S/C17H23N3O3/c18-15(21)13-19-8-10-20(11-9-19)16(22)17(7-4-12-23-17)14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2,(H2,18,21)
InChIKeyAIVTVBHRYZGNQZ-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.32
Rot. Bonds4

About 2-[4-(2-phenyloxolane-2-carbonyl)piperazin-1-yl]acetamide

2-[4-(2-phenyloxolane-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 136562891) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[4-(2-phenyloxolane-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2-phenyloxolane-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID136562891
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-[4-(2-phenyloxolane-2-carbonyl)piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(C(=O)C2(c3ccccc3)CCCO2)CC1
InChIInChI=1S/C17H23N3O3/c18-15(21)13-19-8-10-20(11-9-19)16(22)17(7-4-12-23-17)14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2,(H2,18,21)
InChIKeyAIVTVBHRYZGNQZ-UHFFFAOYSA-N
XLogP0.32
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Carbiphene
CID 10080
X 100
CID 19153
Acetamide, N-(2-dimethylaminoethyl)-2-ethoxy-N-methyl-2,2-diphenyl-, hydrochloride
CID 47075
Benzeneacetamide, alpha-ethoxy-alpha-phenyl-N-(2-(1-pyrrolidinyl)ethyl)-, monohydrochloride
CID 3047310
N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
CID 71193689
Acetamide, N-(2-(dimethylamino)ethyl)-2,2-diphenyl-2-ethoxy-, hydrochloride
CID 29247
N-[2-(Dimethylamino)ethyl]-2-ethoxy-N-methyl-2,2-diphenylacetamide--hydrogen chloride (1/1)
CID 138400897
N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]-2-phenylacetamide
CID 42944902
(2S)-N-[(2S)-1-[butyl(methyl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-2-[[(2S)-2-methoxy-2-phenylpropanoyl]amino]-4-methylpentanamide
CID 44300206
(2S)-N-[(2S)-1-[butyl(methyl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-2-[[(2R)-2-methoxy-2-phenylpropanoyl]amino]-4-methylpentanamide
CID 44300220
2-cyclopentyloxy-N-(2-morpholin-4-ylethyl)-2-phenylacetamide
CID 53562632
2-cyclopentyloxy-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide
CID 53564538

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-phenyloxolane-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-(2-phenyloxolane-2-carbonyl)piperazin-1-yl]acetamide (CID 136562891) is 2-[4-(2-phenyloxolane-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(2-phenyloxolane-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-(2-phenyloxolane-2-carbonyl)piperazin-1-yl]acetamide is NC(=O)CN1CCN(C(=O)C2(c3ccccc3)CCCO2)CC1.
What is the InChIKey of 2-[4-(2-phenyloxolane-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is AIVTVBHRYZGNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c18-15(21)13-19-8-10-20(11-9-19)16(22)17(7-4-12-23-17)14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2,(H2,18,21).
What are the key properties of 2-[4-(2-phenyloxolane-2-carbonyl)piperazin-1-yl]acetamide?
2-[4-(2-phenyloxolane-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 317.39 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-phenyloxolane-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 136562891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).