N-carbamoyl-2-[(2S,3R,6S)-2,3,4,6-tetramethyl-5-oxopiperazin-1-yl]acetamide

C11H20N4O3 — CID 125421909

IUPACN-carbamoyl-2-[(2S,3R,6S)-2,3,4,6-tetramethyl-5-oxopiperazin-1-yl]acetamide
SMILESC[C@@H]1[C@H](C)N(CC(=O)NC(N)=O)[C@@H](C)C(=O)N1C
InChIInChI=1S/C11H20N4O3/c1-6-7(2)15(5-9(16)13-11(12)18)8(3)10(17)14(6)4/h6-8H,5H2,1-4H3,(H3,12,13,16,18)/t6-,7+,8+/m1/s1
InChIKeyJYTWAJKFFKDSKY-CSMHCCOUSA-N
MW256.31 g/mol
LogP-0.88
Rot. Bonds2

About N-carbamoyl-2-[(2S,3R,6S)-2,3,4,6-tetramethyl-5-oxopiperazin-1-yl]acetamide

N-carbamoyl-2-[(2S,3R,6S)-2,3,4,6-tetramethyl-5-oxopiperazin-1-yl]acetamide (PubChem CID 125421909) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-carbamoyl-2-[(2S,3R,6S)-2,3,4,6-tetramethyl-5-oxopiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[(2S,3R,6S)-2,3,4,6-tetramethyl-5-oxopiperazin-1-yl]acetamide
PubChem CID125421909
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC NameN-carbamoyl-2-[(2S,3R,6S)-2,3,4,6-tetramethyl-5-oxopiperazin-1-yl]acetamide
SMILESC[C@@H]1[C@H](C)N(CC(=O)NC(N)=O)[C@@H](C)C(=O)N1C
InChIInChI=1S/C11H20N4O3/c1-6-7(2)15(5-9(16)13-11(12)18)8(3)10(17)14(6)4/h6-8H,5H2,1-4H3,(H3,12,13,16,18)/t6-,7+,8+/m1/s1
InChIKeyJYTWAJKFFKDSKY-CSMHCCOUSA-N
XLogP-0.88
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[(2S,3R,6S)-2,3,4,6-tetramethyl-5-oxopiperazin-1-yl]acetamide?
The IUPAC name of N-carbamoyl-2-[(2S,3R,6S)-2,3,4,6-tetramethyl-5-oxopiperazin-1-yl]acetamide (CID 125421909) is N-carbamoyl-2-[(2S,3R,6S)-2,3,4,6-tetramethyl-5-oxopiperazin-1-yl]acetamide.
What is the SMILES notation for N-carbamoyl-2-[(2S,3R,6S)-2,3,4,6-tetramethyl-5-oxopiperazin-1-yl]acetamide?
The canonical SMILES for N-carbamoyl-2-[(2S,3R,6S)-2,3,4,6-tetramethyl-5-oxopiperazin-1-yl]acetamide is C[C@@H]1[C@H](C)N(CC(=O)NC(N)=O)[C@@H](C)C(=O)N1C.
What is the InChIKey of N-carbamoyl-2-[(2S,3R,6S)-2,3,4,6-tetramethyl-5-oxopiperazin-1-yl]acetamide?
The InChIKey is JYTWAJKFFKDSKY-CSMHCCOUSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-6-7(2)15(5-9(16)13-11(12)18)8(3)10(17)14(6)4/h6-8H,5H2,1-4H3,(H3,12,13,16,18)/t6-,7+,8+/m1/s1.
What are the key properties of N-carbamoyl-2-[(2S,3R,6S)-2,3,4,6-tetramethyl-5-oxopiperazin-1-yl]acetamide?
N-carbamoyl-2-[(2S,3R,6S)-2,3,4,6-tetramethyl-5-oxopiperazin-1-yl]acetamide has a molecular weight of 256.31 g/mol, XLogP of -0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[(2S,3R,6S)-2,3,4,6-tetramethyl-5-oxopiperazin-1-yl]acetamide is sourced from PubChem (CID 125421909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).