N-methyl-2-[(2R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-oxopiperazin-2-yl]acetamide

C17H23N3O2 — CID 95120552

IUPACN-methyl-2-[(2R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-oxopiperazin-2-yl]acetamide
SMILESCNC(=O)C[C@@H]1C(=O)NCCN1C/C(C)=C/c1ccccc1
InChIInChI=1S/C17H23N3O2/c1-13(10-14-6-4-3-5-7-14)12-20-9-8-19-17(22)15(20)11-16(21)18-2/h3-7,10,15H,8-9,11-12H2,1-2H3,(H,18,21)(H,19,22)/b13-10+/t15-/m1/s1
InChIKeyOSSOAPJONOSRPD-NRMKIYEFSA-N
MW301.39 g/mol
LogP1.03
Rot. Bonds5

About N-methyl-2-[(2R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-oxopiperazin-2-yl]acetamide

N-methyl-2-[(2R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-oxopiperazin-2-yl]acetamide (PubChem CID 95120552) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-methyl-2-[(2R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(2R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-oxopiperazin-2-yl]acetamide
PubChem CID95120552
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-methyl-2-[(2R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-oxopiperazin-2-yl]acetamide
SMILESCNC(=O)C[C@@H]1C(=O)NCCN1C/C(C)=C/c1ccccc1
InChIInChI=1S/C17H23N3O2/c1-13(10-14-6-4-3-5-7-14)12-20-9-8-19-17(22)15(20)11-16(21)18-2/h3-7,10,15H,8-9,11-12H2,1-2H3,(H,18,21)(H,19,22)/b13-10+/t15-/m1/s1
InChIKeyOSSOAPJONOSRPD-NRMKIYEFSA-N
XLogP1.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 2-[(2S)-1-[2-(benzylamino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
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2-[1-(1-benzylpiperidin-4-yl)-3-oxopiperazin-2-yl]-N-methylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-methyl-2-[(2R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-oxopiperazin-2-yl]acetamide (CID 95120552) is N-methyl-2-[(2R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-methyl-2-[(2R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-methyl-2-[(2R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-oxopiperazin-2-yl]acetamide is CNC(=O)C[C@@H]1C(=O)NCCN1C/C(C)=C/c1ccccc1.
What is the InChIKey of N-methyl-2-[(2R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-oxopiperazin-2-yl]acetamide?
The InChIKey is OSSOAPJONOSRPD-NRMKIYEFSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13(10-14-6-4-3-5-7-14)12-20-9-8-19-17(22)15(20)11-16(21)18-2/h3-7,10,15H,8-9,11-12H2,1-2H3,(H,18,21)(H,19,22)/b13-10+/t15-/m1/s1.
What are the key properties of N-methyl-2-[(2R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-oxopiperazin-2-yl]acetamide?
N-methyl-2-[(2R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-oxopiperazin-2-yl]acetamide has a molecular weight of 301.39 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 95120552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).