N-(1H-imidazol-2-ylmethyl)-2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]acetamide

C20H25N5O3 — CID 95712423

IUPACN-(1H-imidazol-2-ylmethyl)-2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]acetamide
SMILESCOc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)NCc1ncc[nH]1
InChIInChI=1S/C20H25N5O3/c1-28-17-7-3-2-5-15(17)6-4-11-25-12-10-23-20(27)16(25)13-19(26)24-14-18-21-8-9-22-18/h2-9,16H,10-14H2,1H3,(H,21,22)(H,23,27)(H,24,26)/b6-4+/t16-/m1/s1
InChIKeyABMVALFNBILMJA-MQDFFIGUSA-N
MW383.45 g/mol
LogP0.94
Rot. Bonds8

About N-(1H-imidazol-2-ylmethyl)-2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]acetamide

N-(1H-imidazol-2-ylmethyl)-2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]acetamide (PubChem CID 95712423) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]acetamide
PubChem CID95712423
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC NameN-(1H-imidazol-2-ylmethyl)-2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]acetamide
SMILESCOc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)NCc1ncc[nH]1
InChIInChI=1S/C20H25N5O3/c1-28-17-7-3-2-5-15(17)6-4-11-25-12-10-23-20(27)16(25)13-19(26)24-14-18-21-8-9-22-18/h2-9,16H,10-14H2,1H3,(H,21,22)(H,23,27)(H,24,26)/b6-4+/t16-/m1/s1
InChIKeyABMVALFNBILMJA-MQDFFIGUSA-N
XLogP0.94
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(5-methylfuran-2-yl)methyl]acetamide
CID 126461871
2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-(3-phenylpropyl)acetamide
CID 42189085
2-[(2S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]acetamide
CID 95725682
2-[(2S)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1H-imidazol-2-ylmethyl)acetamide
CID 95727216
2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide
CID 45187256
2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide
CID 56890537
N-(1H-imidazol-2-ylmethyl)-2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 56881536
N-cyclohexyl-2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 26328550
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
(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

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]acetamide (CID 95712423) is N-(1H-imidazol-2-ylmethyl)-2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]acetamide is COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)NCc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]acetamide?
The InChIKey is ABMVALFNBILMJA-MQDFFIGUSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-28-17-7-3-2-5-15(17)6-4-11-25-12-10-23-20(27)16(25)13-19(26)24-14-18-21-8-9-22-18/h2-9,16H,10-14H2,1H3,(H,21,22)(H,23,27)(H,24,26)/b6-4+/t16-/m1/s1.
What are the key properties of N-(1H-imidazol-2-ylmethyl)-2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]acetamide?
N-(1H-imidazol-2-ylmethyl)-2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]acetamide has a molecular weight of 383.45 g/mol, XLogP of 0.94, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 95712423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).