4-(3-phenylpropanoyl)-1-propan-2-ylpiperazin-2-one

C16H22N2O2 — CID 110708994

IUPAC4-(3-phenylpropanoyl)-1-propan-2-ylpiperazin-2-one
SMILESCC(C)N1CCN(C(=O)CCc2ccccc2)CC1=O
InChIInChI=1S/C16H22N2O2/c1-13(2)18-11-10-17(12-16(18)20)15(19)9-8-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3
InChIKeyVRCXFQQKKZTSAG-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.70
Rot. Bonds4

About 4-(3-phenylpropanoyl)-1-propan-2-ylpiperazin-2-one

4-(3-phenylpropanoyl)-1-propan-2-ylpiperazin-2-one (PubChem CID 110708994) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-(3-phenylpropanoyl)-1-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-(3-phenylpropanoyl)-1-propan-2-ylpiperazin-2-one
PubChem CID110708994
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name4-(3-phenylpropanoyl)-1-propan-2-ylpiperazin-2-one
SMILESCC(C)N1CCN(C(=O)CCc2ccccc2)CC1=O
InChIInChI=1S/C16H22N2O2/c1-13(2)18-11-10-17(12-16(18)20)15(19)9-8-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3
InChIKeyVRCXFQQKKZTSAG-UHFFFAOYSA-N
XLogP1.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(2-methylphenyl)propanoyl]-1-propan-2-ylpiperazin-2-one
CID 110709033
4-(2-phenoxyacetyl)-1-propan-2-ylpiperazin-2-one
CID 110708995
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
2-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid
CID 62317075
4-[2-(4-fluorophenyl)acetyl]-1-propan-2-ylpiperazin-2-one
CID 110708991
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
4-(furan-2-carbonyl)-1-propan-2-ylpiperazin-2-one
CID 110708964
2-methyl-3-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid
CID 82322943
4-(3-phenylpropanoyl)piperazine-1-carboxamide
CID 57085481
1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2849742
N-methyl-4-(3-phenylpropanoyl)-1-propan-2-ylpiperazine-2-carboxamide
CID 110086048
4-[[(3-oxo-4-propan-2-ylpiperazine-1-carbonyl)amino]methyl]benzoic acid
CID 122020376

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylpropanoyl)-1-propan-2-ylpiperazin-2-one?
The IUPAC name of 4-(3-phenylpropanoyl)-1-propan-2-ylpiperazin-2-one (CID 110708994) is 4-(3-phenylpropanoyl)-1-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 4-(3-phenylpropanoyl)-1-propan-2-ylpiperazin-2-one?
The canonical SMILES for 4-(3-phenylpropanoyl)-1-propan-2-ylpiperazin-2-one is CC(C)N1CCN(C(=O)CCc2ccccc2)CC1=O.
What is the InChIKey of 4-(3-phenylpropanoyl)-1-propan-2-ylpiperazin-2-one?
The InChIKey is VRCXFQQKKZTSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-13(2)18-11-10-17(12-16(18)20)15(19)9-8-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3.
What are the key properties of 4-(3-phenylpropanoyl)-1-propan-2-ylpiperazin-2-one?
4-(3-phenylpropanoyl)-1-propan-2-ylpiperazin-2-one has a molecular weight of 274.36 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylpropanoyl)-1-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 110708994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).