2-methyl-N-(4-methyl-1-oxo-1-piperazin-1-ylpentan-2-yl)benzamide

C18H27N3O2 — CID 119402573

IUPAC2-methyl-N-(4-methyl-1-oxo-1-piperazin-1-ylpentan-2-yl)benzamide
SMILESCc1ccccc1C(=O)NC(CC(C)C)C(=O)N1CCNCC1
InChIInChI=1S/C18H27N3O2/c1-13(2)12-16(18(23)21-10-8-19-9-11-21)20-17(22)15-7-5-4-6-14(15)3/h4-7,13,16,19H,8-12H2,1-3H3,(H,20,22)
InChIKeyBJIFILROCAEVKV-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.57
Rot. Bonds5

About 2-methyl-N-(4-methyl-1-oxo-1-piperazin-1-ylpentan-2-yl)benzamide

2-methyl-N-(4-methyl-1-oxo-1-piperazin-1-ylpentan-2-yl)benzamide (PubChem CID 119402573) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-methyl-N-(4-methyl-1-oxo-1-piperazin-1-ylpentan-2-yl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(4-methyl-1-oxo-1-piperazin-1-ylpentan-2-yl)benzamide
PubChem CID119402573
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-methyl-N-(4-methyl-1-oxo-1-piperazin-1-ylpentan-2-yl)benzamide
SMILESCc1ccccc1C(=O)NC(CC(C)C)C(=O)N1CCNCC1
InChIInChI=1S/C18H27N3O2/c1-13(2)12-16(18(23)21-10-8-19-9-11-21)20-17(22)15-7-5-4-6-14(15)3/h4-7,13,16,19H,8-12H2,1-3H3,(H,20,22)
InChIKeyBJIFILROCAEVKV-UHFFFAOYSA-N
XLogP1.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methyl-1-oxo-1-piperazin-1-ylpentan-2-yl)benzamide?
The IUPAC name of 2-methyl-N-(4-methyl-1-oxo-1-piperazin-1-ylpentan-2-yl)benzamide (CID 119402573) is 2-methyl-N-(4-methyl-1-oxo-1-piperazin-1-ylpentan-2-yl)benzamide.
What is the SMILES notation for 2-methyl-N-(4-methyl-1-oxo-1-piperazin-1-ylpentan-2-yl)benzamide?
The canonical SMILES for 2-methyl-N-(4-methyl-1-oxo-1-piperazin-1-ylpentan-2-yl)benzamide is Cc1ccccc1C(=O)NC(CC(C)C)C(=O)N1CCNCC1.
What is the InChIKey of 2-methyl-N-(4-methyl-1-oxo-1-piperazin-1-ylpentan-2-yl)benzamide?
The InChIKey is BJIFILROCAEVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13(2)12-16(18(23)21-10-8-19-9-11-21)20-17(22)15-7-5-4-6-14(15)3/h4-7,13,16,19H,8-12H2,1-3H3,(H,20,22).
What are the key properties of 2-methyl-N-(4-methyl-1-oxo-1-piperazin-1-ylpentan-2-yl)benzamide?
2-methyl-N-(4-methyl-1-oxo-1-piperazin-1-ylpentan-2-yl)benzamide has a molecular weight of 317.43 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methyl-1-oxo-1-piperazin-1-ylpentan-2-yl)benzamide is sourced from PubChem (CID 119402573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).