1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one

C16H21N3O2 — CID 7446642

IUPAC1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one
SMILESCN1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1
InChIInChI=1S/C16H21N3O2/c1-17-9-11-18(12-10-17)16(21)13-4-6-14(7-5-13)19-8-2-3-15(19)20/h4-7H,2-3,8-12H2,1H3
InChIKeyLIVVUXHYXGISFG-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.20
Rot. Bonds2

About 1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one

1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one (PubChem CID 7446642) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one
PubChem CID7446642
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one
SMILESCN1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1
InChIInChI=1S/C16H21N3O2/c1-17-9-11-18(12-10-17)16(21)13-4-6-14(7-5-13)19-8-2-3-15(19)20/h4-7H,2-3,8-12H2,1H3
InChIKeyLIVVUXHYXGISFG-UHFFFAOYSA-N
XLogP1.20
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one (CID 7446642) is 1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one is CN1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1.
What is the InChIKey of 1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one?
The InChIKey is LIVVUXHYXGISFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-17-9-11-18(12-10-17)16(21)13-4-6-14(7-5-13)19-8-2-3-15(19)20/h4-7H,2-3,8-12H2,1H3.
What are the key properties of 1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one?
1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one has a molecular weight of 287.36 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 7446642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).