4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pentanamide

C18H27N3O2 — CID 51097137

IUPAC4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pentanamide
SMILESCC(C)CCC(=O)NCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H27N3O2/c1-15(2)8-9-17(22)19-14-18(23)21-12-10-20(11-13-21)16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3,(H,19,22)
InChIKeyWJGYJTYOOUCMJF-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.89
Rot. Bonds6

About 4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pentanamide

4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pentanamide (PubChem CID 51097137) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pentanamide.

Molecular Properties

Compound Name4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pentanamide
PubChem CID51097137
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pentanamide
SMILESCC(C)CCC(=O)NCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H27N3O2/c1-15(2)8-9-17(22)19-14-18(23)21-12-10-20(11-13-21)16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3,(H,19,22)
InChIKeyWJGYJTYOOUCMJF-UHFFFAOYSA-N
XLogP1.89
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 110371175
1,1-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea
CID 110371190
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N',N'-dipropylpentanediamide
CID 56538874
2-(1-phenylethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 108997260
1-(dimethylsulfamoyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide
CID 113097467
1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methylpentan-1-one
CID 112763089
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylbutanamide
CID 112994499
4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pentanamide;dihydrochloride
CID 120565211
2-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-phenylbutanamide
CID 113097440
2-methyl-1-(3-methylbutan-2-yl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 111001358
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one
CID 90253989

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pentanamide?
The IUPAC name of 4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pentanamide (CID 51097137) is 4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pentanamide.
What is the SMILES notation for 4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pentanamide?
The canonical SMILES for 4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pentanamide is CC(C)CCC(=O)NCC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pentanamide?
The InChIKey is WJGYJTYOOUCMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-15(2)8-9-17(22)19-14-18(23)21-12-10-20(11-13-21)16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3,(H,19,22).
What are the key properties of 4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pentanamide?
4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pentanamide has a molecular weight of 317.43 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pentanamide is sourced from PubChem (CID 51097137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).