2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide

C20H29N3O3 — CID 56890537

IUPAC2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCOc1ccccc1/C=C/CN1CCNC(=O)C1CC(=O)N(C)C(C)C
InChIInChI=1S/C20H29N3O3/c1-15(2)22(3)19(24)14-17-20(25)21-11-13-23(17)12-7-9-16-8-5-6-10-18(16)26-4/h5-10,15,17H,11-14H2,1-4H3,(H,21,25)/b9-7+
InChIKeyBHGIXYQMAHFUJU-VQHVLOKHSA-N
MW359.47 g/mol
LogP1.77
Rot. Bonds7

About 2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide

2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide (PubChem CID 56890537) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide
PubChem CID56890537
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCOc1ccccc1/C=C/CN1CCNC(=O)C1CC(=O)N(C)C(C)C
InChIInChI=1S/C20H29N3O3/c1-15(2)22(3)19(24)14-17-20(25)21-11-13-23(17)12-7-9-16-8-5-6-10-18(16)26-4/h5-10,15,17H,11-14H2,1-4H3,(H,21,25)/b9-7+
InChIKeyBHGIXYQMAHFUJU-VQHVLOKHSA-N
XLogP1.77
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide
CID 45187256
N-cyclohexyl-2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 26328550
2-[(2S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]acetamide
CID 95725682
2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 56902232
2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methyl-N-(1,2-oxazol-5-ylmethyl)acetamide
CID 45248092
2-[(2S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide
CID 25458702
2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 126461871
2-[(2S)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide
CID 95716903
2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-(3-phenylpropyl)acetamide
CID 42189085
N-(1H-imidazol-2-ylmethyl)-2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]acetamide
CID 95712423
(3S)-3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperazin-2-one
CID 25453522
2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide
CID 56898233

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide (CID 56890537) is 2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide is COc1ccccc1/C=C/CN1CCNC(=O)C1CC(=O)N(C)C(C)C.
What is the InChIKey of 2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is BHGIXYQMAHFUJU-VQHVLOKHSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-15(2)22(3)19(24)14-17-20(25)21-11-13-23(17)12-7-9-16-8-5-6-10-18(16)26-4/h5-10,15,17H,11-14H2,1-4H3,(H,21,25)/b9-7+.
What are the key properties of 2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide?
2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 359.47 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 56890537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).