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

C12H23N3O2 — CID 42349296

IUPACN-methyl-2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C)C(=O)C[C@H]1C(=O)NCCN1C
InChIInChI=1S/C12H23N3O2/c1-9(2)8-15(4)11(16)7-10-12(17)13-5-6-14(10)3/h9-10H,5-8H2,1-4H3,(H,13,17)/t10-/m0/s1
InChIKeyBNYPMODZPWQNAG-JTQLQIEISA-N
MW241.33 g/mol
LogP-0.08
Rot. Bonds4

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

N-methyl-2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-(2-methylpropyl)acetamide (PubChem CID 42349296) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-methyl-2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-(2-methylpropyl)acetamide
PubChem CID42349296
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-methyl-2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C)C(=O)C[C@H]1C(=O)NCCN1C
InChIInChI=1S/C12H23N3O2/c1-9(2)8-15(4)11(16)7-10-12(17)13-5-6-14(10)3/h9-10H,5-8H2,1-4H3,(H,13,17)/t10-/m0/s1
InChIKeyBNYPMODZPWQNAG-JTQLQIEISA-N
XLogP-0.08
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Isopropyl-6-methyl-2,5-dioxopiperazine
CID 139895
2-[4-(1-Methyl-2,5-dioxopyrrolidin-3-yl)piperazin-1-yl]acetamide
CID 3631511
N-butyl-2-(3-oxopiperazin-2-yl)acetamide
CID 2955610
N-((S)-3-Amino-4-oxo-4-piperidin-1-yl-butyl)-acetamide
CID 10353699
(3S,6S)-3,6-Diisopropylpiperazine-2,5-dione
CID 7075896
(3S,6S)-3-Isopropyl-6-methylpiperazine-2,5-dione
CID 13783106
(3R)-3-(propan-2-yl)piperazine-2,5-dione
CID 736000
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-ethyl-N-(2-methylprop-2-en-1-yl)acetamide
CID 16190893
(S)-3-Isopropyl-2,5-piperazinedione
CID 736942
3-Isopropyl-2,5-piperazine-dione
CID 139827
Cyclo-L-Val-L-Val
CID 637596
3-(4-Ethylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 2989013

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of N-methyl-2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-(2-methylpropyl)acetamide (CID 42349296) is N-methyl-2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-methyl-2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-methyl-2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-(2-methylpropyl)acetamide is CC(C)CN(C)C(=O)C[C@H]1C(=O)NCCN1C.
What is the InChIKey of N-methyl-2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is BNYPMODZPWQNAG-JTQLQIEISA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9(2)8-15(4)11(16)7-10-12(17)13-5-6-14(10)3/h9-10H,5-8H2,1-4H3,(H,13,17)/t10-/m0/s1.
What are the key properties of N-methyl-2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-(2-methylpropyl)acetamide?
N-methyl-2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 241.33 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 42349296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).