4-(4-chlorophenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one

C17H22ClN3O2 — CID 23039534

IUPAC4-(4-chlorophenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one
SMILESCN1CCN(C(=O)CN2CC(c3ccc(Cl)cc3)CC2=O)CC1
InChIInChI=1S/C17H22ClN3O2/c1-19-6-8-20(9-7-19)17(23)12-21-11-14(10-16(21)22)13-2-4-15(18)5-3-13/h2-5,14H,6-12H2,1H3
InChIKeyCUMNWCBDKVMSLS-UHFFFAOYSA-N
MW335.83 g/mol
LogP1.43
Rot. Bonds3

About 4-(4-chlorophenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one

4-(4-chlorophenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one (PubChem CID 23039534) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one
PubChem CID23039534
Molecular FormulaC17H22ClN3O2
Molecular Weight335.83 g/mol
Exact Mass335.14
IUPAC Name4-(4-chlorophenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one
SMILESCN1CCN(C(=O)CN2CC(c3ccc(Cl)cc3)CC2=O)CC1
InChIInChI=1S/C17H22ClN3O2/c1-19-6-8-20(9-7-19)17(23)12-21-11-14(10-16(21)22)13-2-4-15(18)5-3-13/h2-5,14H,6-12H2,1H3
InChIKeyCUMNWCBDKVMSLS-UHFFFAOYSA-N
XLogP1.43
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 4-(4-chlorophenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one (CID 23039534) is 4-(4-chlorophenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 4-(4-chlorophenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one is CN1CCN(C(=O)CN2CC(c3ccc(Cl)cc3)CC2=O)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is CUMNWCBDKVMSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-19-6-8-20(9-7-19)17(23)12-21-11-14(10-16(21)22)13-2-4-15(18)5-3-13/h2-5,14H,6-12H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one?
4-(4-chlorophenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 335.83 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 23039534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).