2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-prop-2-enylacetamide

C17H23N3O3 — CID 25278630

IUPAC2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(OC)c1
InChIInChI=1S/C17H23N3O3/c1-3-7-18-16(21)11-15-17(22)19-8-9-20(15)12-13-5-4-6-14(10-13)23-2/h3-6,10,15H,1,7-9,11-12H2,2H3,(H,18,21)(H,19,22)/t15-/m0/s1
InChIKeySPWBKRQGIYFMNP-HNNXBMFYSA-N
MW317.39 g/mol
LogP0.69
Rot. Bonds7

About 2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-prop-2-enylacetamide

2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-prop-2-enylacetamide (PubChem CID 25278630) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-prop-2-enylacetamide
PubChem CID25278630
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(OC)c1
InChIInChI=1S/C17H23N3O3/c1-3-7-18-16(21)11-15-17(22)19-8-9-20(15)12-13-5-4-6-14(10-13)23-2/h3-6,10,15H,1,7-9,11-12H2,2H3,(H,18,21)(H,19,22)/t15-/m0/s1
InChIKeySPWBKRQGIYFMNP-HNNXBMFYSA-N
XLogP0.69
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 45210149
N-(1H-imidazol-2-ylmethyl)-2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 56881536
2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 45196329
2-[1-[(4-chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 45186168
2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-phenylcyclopropyl)acetamide
CID 45208072
2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)acetamide
CID 45174697
2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-morpholin-4-ylcyclopentyl)methyl]acetamide
CID 26400941
N-(3-indol-1-ylpropyl)-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 25288787
N-(2-methylprop-2-enyl)-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide
CID 42094081
2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenylethyl)acetamide
CID 42305682
N-[2-(3-methoxyphenyl)ethyl]-2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24791715
2-[3-oxo-1-[(3-propan-2-yloxyphenyl)methyl]piperazin-2-yl]acetohydrazide
CID 54847941

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-prop-2-enylacetamide (CID 25278630) is 2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-prop-2-enylacetamide is C=CCNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(OC)c1.
What is the InChIKey of 2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-prop-2-enylacetamide?
The InChIKey is SPWBKRQGIYFMNP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-3-7-18-16(21)11-15-17(22)19-8-9-20(15)12-13-5-4-6-14(10-13)23-2/h3-6,10,15H,1,7-9,11-12H2,2H3,(H,18,21)(H,19,22)/t15-/m0/s1.
What are the key properties of 2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-prop-2-enylacetamide?
2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-prop-2-enylacetamide has a molecular weight of 317.39 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 25278630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).