4-ethyl-N-[(2R,4R)-4-hydroxypentan-2-yl]-3-methylidene-2-oxopiperazine-1-carboxamide

C13H23N3O3 — CID 89309060

IUPAC4-ethyl-N-[(2R,4R)-4-hydroxypentan-2-yl]-3-methylidene-2-oxopiperazine-1-carboxamide
SMILESC=C1C(=O)N(C(=O)N[C@H](C)C[C@@H](C)O)CCN1CC
InChIInChI=1S/C13H23N3O3/c1-5-15-6-7-16(12(18)11(15)4)13(19)14-9(2)8-10(3)17/h9-10,17H,4-8H2,1-3H3,(H,14,19)/t9-,10-/m1/s1
InChIKeyUONJXSARVIIFHG-NXEZZACHSA-N
MW269.34 g/mol
LogP0.53
Rot. Bonds4

About 4-ethyl-N-[(2R,4R)-4-hydroxypentan-2-yl]-3-methylidene-2-oxopiperazine-1-carboxamide

4-ethyl-N-[(2R,4R)-4-hydroxypentan-2-yl]-3-methylidene-2-oxopiperazine-1-carboxamide (PubChem CID 89309060) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-ethyl-N-[(2R,4R)-4-hydroxypentan-2-yl]-3-methylidene-2-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(2R,4R)-4-hydroxypentan-2-yl]-3-methylidene-2-oxopiperazine-1-carboxamide
PubChem CID89309060
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name4-ethyl-N-[(2R,4R)-4-hydroxypentan-2-yl]-3-methylidene-2-oxopiperazine-1-carboxamide
SMILESC=C1C(=O)N(C(=O)N[C@H](C)C[C@@H](C)O)CCN1CC
InChIInChI=1S/C13H23N3O3/c1-5-15-6-7-16(12(18)11(15)4)13(19)14-9(2)8-10(3)17/h9-10,17H,4-8H2,1-3H3,(H,14,19)/t9-,10-/m1/s1
InChIKeyUONJXSARVIIFHG-NXEZZACHSA-N
XLogP0.53
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(2R,4R)-4-hydroxypentan-2-yl]-3-methylidene-2-oxopiperazine-1-carboxamide?
The IUPAC name of 4-ethyl-N-[(2R,4R)-4-hydroxypentan-2-yl]-3-methylidene-2-oxopiperazine-1-carboxamide (CID 89309060) is 4-ethyl-N-[(2R,4R)-4-hydroxypentan-2-yl]-3-methylidene-2-oxopiperazine-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(2R,4R)-4-hydroxypentan-2-yl]-3-methylidene-2-oxopiperazine-1-carboxamide?
The canonical SMILES for 4-ethyl-N-[(2R,4R)-4-hydroxypentan-2-yl]-3-methylidene-2-oxopiperazine-1-carboxamide is C=C1C(=O)N(C(=O)N[C@H](C)C[C@@H](C)O)CCN1CC.
What is the InChIKey of 4-ethyl-N-[(2R,4R)-4-hydroxypentan-2-yl]-3-methylidene-2-oxopiperazine-1-carboxamide?
The InChIKey is UONJXSARVIIFHG-NXEZZACHSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-5-15-6-7-16(12(18)11(15)4)13(19)14-9(2)8-10(3)17/h9-10,17H,4-8H2,1-3H3,(H,14,19)/t9-,10-/m1/s1.
What are the key properties of 4-ethyl-N-[(2R,4R)-4-hydroxypentan-2-yl]-3-methylidene-2-oxopiperazine-1-carboxamide?
4-ethyl-N-[(2R,4R)-4-hydroxypentan-2-yl]-3-methylidene-2-oxopiperazine-1-carboxamide has a molecular weight of 269.34 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(2R,4R)-4-hydroxypentan-2-yl]-3-methylidene-2-oxopiperazine-1-carboxamide is sourced from PubChem (CID 89309060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).