2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide

C19H27N3O3 — CID 6464765

IUPAC2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN1CCN(C(=O)C2CCCO2)CC1)c1ccccc1
InChIInChI=1S/C19H27N3O3/c1-15(16-6-3-2-4-7-16)20-18(23)14-21-9-11-22(12-10-21)19(24)17-8-5-13-25-17/h2-4,6-7,15,17H,5,8-14H2,1H3,(H,20,23)
InChIKeyFLSYCTXDIQSXKG-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.19
Rot. Bonds5

About 2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide

2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide (PubChem CID 6464765) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
PubChem CID6464765
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN1CCN(C(=O)C2CCCO2)CC1)c1ccccc1
InChIInChI=1S/C19H27N3O3/c1-15(16-6-3-2-4-7-16)20-18(23)14-21-9-11-22(12-10-21)19(24)17-8-5-13-25-17/h2-4,6-7,15,17H,5,8-14H2,1H3,(H,20,23)
InChIKeyFLSYCTXDIQSXKG-UHFFFAOYSA-N
XLogP1.19
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 2917394
CID 2917394
CID 4314957
CID 4314957
CID 6467126
CID 6467126
CID 3860526
CID 3860526
CID 2891290
CID 2891290
CID 2970814
CID 2970814
CID 3236574
CID 3236574
CID 3240341
CID 3240341
CID 3241684
CID 3241684
CID 4069380
CID 4069380
CID 5459711
CID 5459711
CID 2883263
CID 2883263

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide (CID 6464765) is 2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide is CC(NC(=O)CN1CCN(C(=O)C2CCCO2)CC1)c1ccccc1.
What is the InChIKey of 2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide?
The InChIKey is FLSYCTXDIQSXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-15(16-6-3-2-4-7-16)20-18(23)14-21-9-11-22(12-10-21)19(24)17-8-5-13-25-17/h2-4,6-7,15,17H,5,8-14H2,1H3,(H,20,23).
What are the key properties of 2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide?
2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide has a molecular weight of 345.44 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 6464765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).