3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one

C16H22N2O2 — CID 48867078

IUPAC3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
SMILESCCC(=O)N1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C16H22N2O2/c1-2-15(19)17-10-12-18(13-11-17)16(20)9-8-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3
InChIKeyWHMNYDNWZOGEFD-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.70
Rot. Bonds4

About 3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one

3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one (PubChem CID 48867078) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
PubChem CID48867078
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
SMILESCCC(=O)N1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C16H22N2O2/c1-2-15(19)17-10-12-18(13-11-17)16(20)9-8-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3
InChIKeyWHMNYDNWZOGEFD-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

ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
4-(3-phenylpropanoyl)piperazine-1-carboxamide
CID 57085481
2-methyl-3-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid
CID 82322943
2-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid
CID 62317075
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
1-(4-cyclopropylpiperazin-1-yl)-3-phenylpropan-1-one
CID 110708530
1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 63337793
1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 48866992
1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2849742
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 95311755
N,N-dimethyl-4-(3-phenylpropanoyl)piperazine-1-sulfonamide
CID 32502208
1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 113073570

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one (CID 48867078) is 3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one is CCC(=O)N1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of 3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one?
The InChIKey is WHMNYDNWZOGEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-15(19)17-10-12-18(13-11-17)16(20)9-8-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3.
What are the key properties of 3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one?
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-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 3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 48867078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).