N-propan-2-yl-2-[4-(2,4,6-trioxo-1,3-diazinan-1-yl)piperazin-1-yl]acetamide

C13H21N5O4 — CID 3039157

IUPACN-propan-2-yl-2-[4-(2,4,6-trioxo-1,3-diazinan-1-yl)piperazin-1-yl]acetamide
SMILESCC(C)NC(=O)CN1CCN(N2C(=O)CC(=O)NC2=O)CC1
InChIInChI=1S/C13H21N5O4/c1-9(2)14-11(20)8-16-3-5-17(6-4-16)18-12(21)7-10(19)15-13(18)22/h9H,3-8H2,1-2H3,(H,14,20)(H,15,19,22)
InChIKeyLTTYPAWSZPWJIT-UHFFFAOYSA-N
MW311.34 g/mol
LogP-1.49
Rot. Bonds4

About N-propan-2-yl-2-[4-(2,4,6-trioxo-1,3-diazinan-1-yl)piperazin-1-yl]acetamide

N-propan-2-yl-2-[4-(2,4,6-trioxo-1,3-diazinan-1-yl)piperazin-1-yl]acetamide (PubChem CID 3039157) has the molecular formula C13H21N5O4 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-propan-2-yl-2-[4-(2,4,6-trioxo-1,3-diazinan-1-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[4-(2,4,6-trioxo-1,3-diazinan-1-yl)piperazin-1-yl]acetamide
PubChem CID3039157
Molecular FormulaC13H21N5O4
Molecular Weight311.34 g/mol
Exact Mass311.16
IUPAC NameN-propan-2-yl-2-[4-(2,4,6-trioxo-1,3-diazinan-1-yl)piperazin-1-yl]acetamide
SMILESCC(C)NC(=O)CN1CCN(N2C(=O)CC(=O)NC2=O)CC1
InChIInChI=1S/C13H21N5O4/c1-9(2)14-11(20)8-16-3-5-17(6-4-16)18-12(21)7-10(19)15-13(18)22/h9H,3-8H2,1-2H3,(H,14,20)(H,15,19,22)
InChIKeyLTTYPAWSZPWJIT-UHFFFAOYSA-N
XLogP-1.49
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[4-(2,4,6-trioxo-1,3-diazinan-1-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-propan-2-yl-2-[4-(2,4,6-trioxo-1,3-diazinan-1-yl)piperazin-1-yl]acetamide (CID 3039157) is N-propan-2-yl-2-[4-(2,4,6-trioxo-1,3-diazinan-1-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[4-(2,4,6-trioxo-1,3-diazinan-1-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-propan-2-yl-2-[4-(2,4,6-trioxo-1,3-diazinan-1-yl)piperazin-1-yl]acetamide is CC(C)NC(=O)CN1CCN(N2C(=O)CC(=O)NC2=O)CC1.
What is the InChIKey of N-propan-2-yl-2-[4-(2,4,6-trioxo-1,3-diazinan-1-yl)piperazin-1-yl]acetamide?
The InChIKey is LTTYPAWSZPWJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O4/c1-9(2)14-11(20)8-16-3-5-17(6-4-16)18-12(21)7-10(19)15-13(18)22/h9H,3-8H2,1-2H3,(H,14,20)(H,15,19,22).
What are the key properties of N-propan-2-yl-2-[4-(2,4,6-trioxo-1,3-diazinan-1-yl)piperazin-1-yl]acetamide?
N-propan-2-yl-2-[4-(2,4,6-trioxo-1,3-diazinan-1-yl)piperazin-1-yl]acetamide has a molecular weight of 311.34 g/mol, XLogP of -1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[4-(2,4,6-trioxo-1,3-diazinan-1-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 3039157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).