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

C17H22ClN3O3 — CID 6466353

IUPACN-(4-chlorophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)C2CCCO2)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H22ClN3O3/c18-13-3-5-14(6-4-13)19-16(22)12-20-7-9-21(10-8-20)17(23)15-2-1-11-24-15/h3-6,15H,1-2,7-12H2,(H,19,22)
InChIKeyRXFMIEJDLYORJF-UHFFFAOYSA-N
MW351.83 g/mol
LogP1.60
Rot. Bonds4

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

N-(4-chlorophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 6466353) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID6466353
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC NameN-(4-chlorophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)C2CCCO2)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H22ClN3O3/c18-13-3-5-14(6-4-13)19-16(22)12-20-7-9-21(10-8-20)17(23)15-2-1-11-24-15/h3-6,15H,1-2,7-12H2,(H,19,22)
InChIKeyRXFMIEJDLYORJF-UHFFFAOYSA-N
XLogP1.60
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide (CID 6466353) is N-(4-chlorophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)C2CCCO2)CC1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is RXFMIEJDLYORJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O3/c18-13-3-5-14(6-4-13)19-16(22)12-20-7-9-21(10-8-20)17(23)15-2-1-11-24-15/h3-6,15H,1-2,7-12H2,(H,19,22).
What are the key properties of N-(4-chlorophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
N-(4-chlorophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 351.83 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 6466353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).