N-carbamoyl-2-(2,4-dimethylpiperazin-1-yl)acetamide

C9H18N4O2 — CID 71877503

IUPACN-carbamoyl-2-(2,4-dimethylpiperazin-1-yl)acetamide
SMILESCC1CN(C)CCN1CC(=O)NC(N)=O
InChIInChI=1S/C9H18N4O2/c1-7-5-12(2)3-4-13(7)6-8(14)11-9(10)15/h7H,3-6H2,1-2H3,(H3,10,11,14,15)
InChIKeySAYSCSORRLMMPL-UHFFFAOYSA-N
MW214.27 g/mol
LogP-1.18
Rot. Bonds2

About N-carbamoyl-2-(2,4-dimethylpiperazin-1-yl)acetamide

N-carbamoyl-2-(2,4-dimethylpiperazin-1-yl)acetamide (PubChem CID 71877503) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is N-carbamoyl-2-(2,4-dimethylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(2,4-dimethylpiperazin-1-yl)acetamide
PubChem CID71877503
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC NameN-carbamoyl-2-(2,4-dimethylpiperazin-1-yl)acetamide
SMILESCC1CN(C)CCN1CC(=O)NC(N)=O
InChIInChI=1S/C9H18N4O2/c1-7-5-12(2)3-4-13(7)6-8(14)11-9(10)15/h7H,3-6H2,1-2H3,(H3,10,11,14,15)
InChIKeySAYSCSORRLMMPL-UHFFFAOYSA-N
XLogP-1.18
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(2,4-dimethylpiperazin-1-yl)acetamide?
The IUPAC name of N-carbamoyl-2-(2,4-dimethylpiperazin-1-yl)acetamide (CID 71877503) is N-carbamoyl-2-(2,4-dimethylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-carbamoyl-2-(2,4-dimethylpiperazin-1-yl)acetamide?
The canonical SMILES for N-carbamoyl-2-(2,4-dimethylpiperazin-1-yl)acetamide is CC1CN(C)CCN1CC(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-(2,4-dimethylpiperazin-1-yl)acetamide?
The InChIKey is SAYSCSORRLMMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-7-5-12(2)3-4-13(7)6-8(14)11-9(10)15/h7H,3-6H2,1-2H3,(H3,10,11,14,15).
What are the key properties of N-carbamoyl-2-(2,4-dimethylpiperazin-1-yl)acetamide?
N-carbamoyl-2-(2,4-dimethylpiperazin-1-yl)acetamide has a molecular weight of 214.27 g/mol, XLogP of -1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(2,4-dimethylpiperazin-1-yl)acetamide is sourced from PubChem (CID 71877503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).