5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-5-oxopentanamide

C17H25N3O2 — CID 86776999

IUPAC5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-5-oxopentanamide
SMILESCc1cccc(CN2CCN(C(=O)CCCC(N)=O)CC2)c1
InChIInChI=1S/C17H25N3O2/c1-14-4-2-5-15(12-14)13-19-8-10-20(11-9-19)17(22)7-3-6-16(18)21/h2,4-5,12H,3,6-11,13H2,1H3,(H2,18,21)
InChIKeyYNYWYKDSHBRGNF-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.29
Rot. Bonds6

About 5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-5-oxopentanamide

5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-5-oxopentanamide (PubChem CID 86776999) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-5-oxopentanamide.

Molecular Properties

Compound Name5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-5-oxopentanamide
PubChem CID86776999
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-5-oxopentanamide
SMILESCc1cccc(CN2CCN(C(=O)CCCC(N)=O)CC2)c1
InChIInChI=1S/C17H25N3O2/c1-14-4-2-5-15(12-14)13-19-8-10-20(11-9-19)17(22)7-3-6-16(18)21/h2,4-5,12H,3,6-11,13H2,1H3,(H2,18,21)
InChIKeyYNYWYKDSHBRGNF-UHFFFAOYSA-N
XLogP1.29
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 134017459
2-(4-aminophenyl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 119832324
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 78788636
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 78806232
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propane-1,2-dione
CID 19325349
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-phenylsulfanylethanone
CID 23885384
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 78793298
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione
CID 78788582
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 19560246
3-amino-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119952742
1-cyclohexyl-3-[4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-4-oxobutyl]urea
CID 33127964
3-(4-chlorophenyl)sulfonyl-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 9106081

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-5-oxopentanamide?
The IUPAC name of 5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-5-oxopentanamide (CID 86776999) is 5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-5-oxopentanamide.
What is the SMILES notation for 5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-5-oxopentanamide?
The canonical SMILES for 5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-5-oxopentanamide is Cc1cccc(CN2CCN(C(=O)CCCC(N)=O)CC2)c1.
What is the InChIKey of 5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-5-oxopentanamide?
The InChIKey is YNYWYKDSHBRGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-14-4-2-5-15(12-14)13-19-8-10-20(11-9-19)17(22)7-3-6-16(18)21/h2,4-5,12H,3,6-11,13H2,1H3,(H2,18,21).
What are the key properties of 5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-5-oxopentanamide?
5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-5-oxopentanamide has a molecular weight of 303.41 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-5-oxopentanamide is sourced from PubChem (CID 86776999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).