N-methyl-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(oxan-4-yl)acetamide

C16H29N3O3 — CID 45206857

IUPACN-methyl-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(oxan-4-yl)acetamide
SMILESCC(C)CN1CCNC(=O)C1CC(=O)N(C)C1CCOCC1
InChIInChI=1S/C16H29N3O3/c1-12(2)11-19-7-6-17-16(21)14(19)10-15(20)18(3)13-4-8-22-9-5-13/h12-14H,4-11H2,1-3H3,(H,17,21)
InChIKeyPMYUZKIWEBQUJD-UHFFFAOYSA-N
MW311.43 g/mol
LogP0.47
Rot. Bonds5

About N-methyl-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(oxan-4-yl)acetamide

N-methyl-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(oxan-4-yl)acetamide (PubChem CID 45206857) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-methyl-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(oxan-4-yl)acetamide
PubChem CID45206857
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC NameN-methyl-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(oxan-4-yl)acetamide
SMILESCC(C)CN1CCNC(=O)C1CC(=O)N(C)C1CCOCC1
InChIInChI=1S/C16H29N3O3/c1-12(2)11-19-7-6-17-16(21)14(19)10-15(20)18(3)13-4-8-22-9-5-13/h12-14H,4-11H2,1-3H3,(H,17,21)
InChIKeyPMYUZKIWEBQUJD-UHFFFAOYSA-N
XLogP0.47
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(oxan-4-yl)acetamide?
The IUPAC name of N-methyl-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(oxan-4-yl)acetamide (CID 45206857) is N-methyl-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for N-methyl-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for N-methyl-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(oxan-4-yl)acetamide is CC(C)CN1CCNC(=O)C1CC(=O)N(C)C1CCOCC1.
What is the InChIKey of N-methyl-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(oxan-4-yl)acetamide?
The InChIKey is PMYUZKIWEBQUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-12(2)11-19-7-6-17-16(21)14(19)10-15(20)18(3)13-4-8-22-9-5-13/h12-14H,4-11H2,1-3H3,(H,17,21).
What are the key properties of N-methyl-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(oxan-4-yl)acetamide?
N-methyl-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 311.43 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 45206857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).