2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)acetamide

C23H33N3O5 — CID 45174697

IUPAC2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)acetamide
SMILESC=CCC(O)(CC=C)CNC(=O)CC1C(=O)NCCN1Cc1cc(OC)cc(OC)c1
InChIInChI=1S/C23H33N3O5/c1-5-7-23(29,8-6-2)16-25-21(27)14-20-22(28)24-9-10-26(20)15-17-11-18(30-3)13-19(12-17)31-4/h5-6,11-13,20,29H,1-2,7-10,14-16H2,3-4H3,(H,24,28)(H,25,27)
InChIKeyPHPOMPMTKSUIAK-UHFFFAOYSA-N
MW431.53 g/mol
LogP1.39
Rot. Bonds12

About 2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)acetamide

2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)acetamide (PubChem CID 45174697) has the molecular formula C23H33N3O5 and a molecular weight of 431.53 g/mol. Its IUPAC name is 2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)acetamide.

Molecular Properties

Compound Name2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)acetamide
PubChem CID45174697
Molecular FormulaC23H33N3O5
Molecular Weight431.53 g/mol
Exact Mass431.24
IUPAC Name2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)acetamide
SMILESC=CCC(O)(CC=C)CNC(=O)CC1C(=O)NCCN1Cc1cc(OC)cc(OC)c1
InChIInChI=1S/C23H33N3O5/c1-5-7-23(29,8-6-2)16-25-21(27)14-20-22(28)24-9-10-26(20)15-17-11-18(30-3)13-19(12-17)31-4/h5-6,11-13,20,29H,1-2,7-10,14-16H2,3-4H3,(H,24,28)(H,25,27)
InChIKeyPHPOMPMTKSUIAK-UHFFFAOYSA-N
XLogP1.39
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-prop-2-enylacetamide
CID 25278630
N-cyclohexyl-2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24793235
(3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazin-2-one
CID 42527548
(3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one
CID 25292413
methyl 1-[2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetyl]piperidine-4-carboxylate
CID 45221729
methyl 1-[2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetyl]piperidine-4-carboxylate
CID 25310065
propyl 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 7248067
(3S)-4-[(3,5-dimethoxyphenyl)methyl]-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]piperazin-2-one
CID 25365013
2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 45210149
2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 45196329
N-(1H-imidazol-2-ylmethyl)-2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 56881536
2-[1-[(4-chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 45186168

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)acetamide?
The IUPAC name of 2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)acetamide (CID 45174697) is 2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)acetamide.
What is the SMILES notation for 2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)acetamide?
The canonical SMILES for 2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)acetamide is C=CCC(O)(CC=C)CNC(=O)CC1C(=O)NCCN1Cc1cc(OC)cc(OC)c1.
What is the InChIKey of 2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)acetamide?
The InChIKey is PHPOMPMTKSUIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O5/c1-5-7-23(29,8-6-2)16-25-21(27)14-20-22(28)24-9-10-26(20)15-17-11-18(30-3)13-19(12-17)31-4/h5-6,11-13,20,29H,1-2,7-10,14-16H2,3-4H3,(H,24,28)(H,25,27).
What are the key properties of 2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)acetamide?
2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)acetamide has a molecular weight of 431.53 g/mol, XLogP of 1.39, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)acetamide is sourced from PubChem (CID 45174697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).