4-benzyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide

C16H24N4O2 — CID 3066972

IUPAC4-benzyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N(C)C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H24N4O2/c1-17(2)15(21)18(3)16(22)20-11-9-19(10-12-20)13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3
InChIKeyJBFSNBYVTHNEIG-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.54
Rot. Bonds2

About 4-benzyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide

4-benzyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide (PubChem CID 3066972) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-benzyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide
PubChem CID3066972
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name4-benzyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N(C)C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H24N4O2/c1-17(2)15(21)18(3)16(22)20-11-9-19(10-12-20)13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3
InChIKeyJBFSNBYVTHNEIG-UHFFFAOYSA-N
XLogP1.54
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide (CID 3066972) is 4-benzyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide is CN(C)C(=O)N(C)C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide?
The InChIKey is JBFSNBYVTHNEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-17(2)15(21)18(3)16(22)20-11-9-19(10-12-20)13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3.
What are the key properties of 4-benzyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide?
4-benzyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide is sourced from PubChem (CID 3066972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).