3,3-dimethyl-4-(2-phenylacetyl)piperazin-2-one

C14H18N2O2 — CID 16863839

IUPAC3,3-dimethyl-4-(2-phenylacetyl)piperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C14H18N2O2/c1-14(2)13(18)15-8-9-16(14)12(17)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,15,18)
InChIKeyOFELQSOFXDYULH-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.97
Rot. Bonds2

About 3,3-dimethyl-4-(2-phenylacetyl)piperazin-2-one

3,3-dimethyl-4-(2-phenylacetyl)piperazin-2-one (PubChem CID 16863839) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3,3-dimethyl-4-(2-phenylacetyl)piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-(2-phenylacetyl)piperazin-2-one
PubChem CID16863839
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3,3-dimethyl-4-(2-phenylacetyl)piperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C14H18N2O2/c1-14(2)13(18)15-8-9-16(14)12(17)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,15,18)
InChIKeyOFELQSOFXDYULH-UHFFFAOYSA-N
XLogP0.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(2-phenylacetyl)piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-(2-phenylacetyl)piperazin-2-one (CID 16863839) is 3,3-dimethyl-4-(2-phenylacetyl)piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-(2-phenylacetyl)piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-(2-phenylacetyl)piperazin-2-one is CC1(C)C(=O)NCCN1C(=O)Cc1ccccc1.
What is the InChIKey of 3,3-dimethyl-4-(2-phenylacetyl)piperazin-2-one?
The InChIKey is OFELQSOFXDYULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-14(2)13(18)15-8-9-16(14)12(17)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,15,18).
What are the key properties of 3,3-dimethyl-4-(2-phenylacetyl)piperazin-2-one?
3,3-dimethyl-4-(2-phenylacetyl)piperazin-2-one has a molecular weight of 246.31 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(2-phenylacetyl)piperazin-2-one is sourced from PubChem (CID 16863839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).