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

C19H29N3O4 — CID 95716450

IUPACN-[(2,3-dimethoxyphenyl)methyl]-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide
SMILESCOc1cccc(CNC(=O)C[C@H]2C(=O)NCCN2CC(C)C)c1OC
InChIInChI=1S/C19H29N3O4/c1-13(2)12-22-9-8-20-19(24)15(22)10-17(23)21-11-14-6-5-7-16(25-3)18(14)26-4/h5-7,13,15H,8-12H2,1-4H3,(H,20,24)(H,21,23)/t15-/m0/s1
InChIKeyMVCGJZLFZFJEQW-HNNXBMFYSA-N
MW363.46 g/mol
LogP1.17
Rot. Bonds8

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

N-[(2,3-dimethoxyphenyl)methyl]-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide (PubChem CID 95716450) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide
PubChem CID95716450
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide
SMILESCOc1cccc(CNC(=O)C[C@H]2C(=O)NCCN2CC(C)C)c1OC
InChIInChI=1S/C19H29N3O4/c1-13(2)12-22-9-8-20-19(24)15(22)10-17(23)21-11-14-6-5-7-16(25-3)18(14)26-4/h5-7,13,15H,8-12H2,1-4H3,(H,20,24)(H,21,23)/t15-/m0/s1
InChIKeyMVCGJZLFZFJEQW-HNNXBMFYSA-N
XLogP1.17
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 42215171
2-[(2S)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(3-methoxypropyl)acetamide
CID 26333714
2-[(2S)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide
CID 95716903
2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 45198435
N-[(2,6-dimethoxyphenyl)methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 42241907
2-[1-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-3-oxopiperazin-2-yl]acetohydrazide
CID 54847576
2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-3-yloxyethyl)acetamide
CID 42394628
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide
CID 95717335
2-[1-[(2-butan-2-yloxy-3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 54848078
2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 42655576
N-(2-amino-2-oxoethyl)-2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 56891969
2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide
CID 45218015

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide (CID 95716450) is N-[(2,3-dimethoxyphenyl)methyl]-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide is COc1cccc(CNC(=O)C[C@H]2C(=O)NCCN2CC(C)C)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide?
The InChIKey is MVCGJZLFZFJEQW-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-13(2)12-22-9-8-20-19(24)15(22)10-17(23)21-11-14-6-5-7-16(25-3)18(14)26-4/h5-7,13,15H,8-12H2,1-4H3,(H,20,24)(H,21,23)/t15-/m0/s1.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide?
N-[(2,3-dimethoxyphenyl)methyl]-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide has a molecular weight of 363.46 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 95716450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).