4-benzyl-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide

C15H22N4O2 — CID 3066941

IUPAC4-benzyl-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide
SMILESCNC(=O)N(C)C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H22N4O2/c1-16-14(20)17(2)15(21)19-10-8-18(9-11-19)12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,16,20)
InChIKeyOCFSEWMLCLYKHJ-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.20
Rot. Bonds2

About 4-benzyl-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide

4-benzyl-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide (PubChem CID 3066941) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-benzyl-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide
PubChem CID3066941
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name4-benzyl-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide
SMILESCNC(=O)N(C)C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H22N4O2/c1-16-14(20)17(2)15(21)19-10-8-18(9-11-19)12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,16,20)
InChIKeyOCFSEWMLCLYKHJ-UHFFFAOYSA-N
XLogP1.20
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide (CID 3066941) is 4-benzyl-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide is CNC(=O)N(C)C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide?
The InChIKey is OCFSEWMLCLYKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-16-14(20)17(2)15(21)19-10-8-18(9-11-19)12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,16,20).
What are the key properties of 4-benzyl-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide?
4-benzyl-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide is sourced from PubChem (CID 3066941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).