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

C18H25N3O3 — CID 22197284

IUPACN-benzyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)C2CCCO2)CC1)NCc1ccccc1
InChIInChI=1S/C18H25N3O3/c22-17(19-13-15-5-2-1-3-6-15)14-20-8-10-21(11-9-20)18(23)16-7-4-12-24-16/h1-3,5-6,16H,4,7-14H2,(H,19,22)
InChIKeyBDOXWUOZLOXBQI-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.63
Rot. Bonds5

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

N-benzyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 22197284) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-benzyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID22197284
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-benzyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)C2CCCO2)CC1)NCc1ccccc1
InChIInChI=1S/C18H25N3O3/c22-17(19-13-15-5-2-1-3-6-15)14-20-8-10-21(11-9-20)18(23)16-7-4-12-24-16/h1-3,5-6,16H,4,7-14H2,(H,19,22)
InChIKeyBDOXWUOZLOXBQI-UHFFFAOYSA-N
XLogP0.63
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide (CID 22197284) is N-benzyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)C2CCCO2)CC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is BDOXWUOZLOXBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c22-17(19-13-15-5-2-1-3-6-15)14-20-8-10-21(11-9-20)18(23)16-7-4-12-24-16/h1-3,5-6,16H,4,7-14H2,(H,19,22).
What are the key properties of N-benzyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
N-benzyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 331.42 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 22197284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).