3-(2,2-dimethylpiperazine-1-carbonyl)benzamide

C14H19N3O2 — CID 65462532

IUPAC3-(2,2-dimethylpiperazine-1-carbonyl)benzamide
SMILESCC1(C)CNCCN1C(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C14H19N3O2/c1-14(2)9-16-6-7-17(14)13(19)11-5-3-4-10(8-11)12(15)18/h3-5,8,16H,6-7,9H2,1-2H3,(H2,15,18)
InChIKeyHWFGWOIOMOAFEP-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.61
Rot. Bonds2

About 3-(2,2-dimethylpiperazine-1-carbonyl)benzamide

3-(2,2-dimethylpiperazine-1-carbonyl)benzamide (PubChem CID 65462532) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(2,2-dimethylpiperazine-1-carbonyl)benzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpiperazine-1-carbonyl)benzamide
PubChem CID65462532
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-(2,2-dimethylpiperazine-1-carbonyl)benzamide
SMILESCC1(C)CNCCN1C(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C14H19N3O2/c1-14(2)9-16-6-7-17(14)13(19)11-5-3-4-10(8-11)12(15)18/h3-5,8,16H,6-7,9H2,1-2H3,(H2,15,18)
InChIKeyHWFGWOIOMOAFEP-UHFFFAOYSA-N
XLogP0.61
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpiperazine-1-carbonyl)benzamide?
The IUPAC name of 3-(2,2-dimethylpiperazine-1-carbonyl)benzamide (CID 65462532) is 3-(2,2-dimethylpiperazine-1-carbonyl)benzamide.
What is the SMILES notation for 3-(2,2-dimethylpiperazine-1-carbonyl)benzamide?
The canonical SMILES for 3-(2,2-dimethylpiperazine-1-carbonyl)benzamide is CC1(C)CNCCN1C(=O)c1cccc(C(N)=O)c1.
What is the InChIKey of 3-(2,2-dimethylpiperazine-1-carbonyl)benzamide?
The InChIKey is HWFGWOIOMOAFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2)9-16-6-7-17(14)13(19)11-5-3-4-10(8-11)12(15)18/h3-5,8,16H,6-7,9H2,1-2H3,(H2,15,18).
What are the key properties of 3-(2,2-dimethylpiperazine-1-carbonyl)benzamide?
3-(2,2-dimethylpiperazine-1-carbonyl)benzamide has a molecular weight of 261.32 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpiperazine-1-carbonyl)benzamide is sourced from PubChem (CID 65462532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).