3-(2-amino-2-oxoethyl)-4-[(2,3-dimethoxyphenyl)methyl]-N-propylpiperazine-1-carboxamide

C19H30N4O4 — CID 69348802

IUPAC3-(2-amino-2-oxoethyl)-4-[(2,3-dimethoxyphenyl)methyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(Cc2cccc(OC)c2OC)C(CC(N)=O)C1
InChIInChI=1S/C19H30N4O4/c1-4-8-21-19(25)23-10-9-22(15(13-23)11-17(20)24)12-14-6-5-7-16(26-2)18(14)27-3/h5-7,15H,4,8-13H2,1-3H3,(H2,20,24)(H,21,25)
InChIKeyWUFCKKUWVJSGIG-UHFFFAOYSA-N
MW378.47 g/mol
LogP1.18
Rot. Bonds8

About 3-(2-amino-2-oxoethyl)-4-[(2,3-dimethoxyphenyl)methyl]-N-propylpiperazine-1-carboxamide

3-(2-amino-2-oxoethyl)-4-[(2,3-dimethoxyphenyl)methyl]-N-propylpiperazine-1-carboxamide (PubChem CID 69348802) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethyl)-4-[(2,3-dimethoxyphenyl)methyl]-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethyl)-4-[(2,3-dimethoxyphenyl)methyl]-N-propylpiperazine-1-carboxamide
PubChem CID69348802
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC Name3-(2-amino-2-oxoethyl)-4-[(2,3-dimethoxyphenyl)methyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(Cc2cccc(OC)c2OC)C(CC(N)=O)C1
InChIInChI=1S/C19H30N4O4/c1-4-8-21-19(25)23-10-9-22(15(13-23)11-17(20)24)12-14-6-5-7-16(26-2)18(14)27-3/h5-7,15H,4,8-13H2,1-3H3,(H2,20,24)(H,21,25)
InChIKeyWUFCKKUWVJSGIG-UHFFFAOYSA-N
XLogP1.18
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2,3-dimethoxyphenyl)methyl]-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45190546
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
2-[2-[(2,3-dimethoxyphenyl)methylamino]ethoxy]acetamide
CID 106235488
2-[2-(ethylaminomethyl)-6-methoxyphenoxy]-N-propylpropanamide
CID 43471966
1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 23884997
ethyl 4-[N-[(2,3-dimethoxyphenyl)methyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111164128
N-[(2,3-dimethoxyphenyl)methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 55909350
2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-propylacetamide
CID 43406329
(3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-(propylaminomethyl)piperidin-2-one
CID 95222280
1-[(2,3-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 113281872
2-[[1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetamide
CID 56720896
methyl 2-[(2,3-dimethoxyphenyl)methyl]-3-phenyl-5-(propylcarbamoyl)-3H-1,2-oxazole-4-carboxylate
CID 101426966

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethyl)-4-[(2,3-dimethoxyphenyl)methyl]-N-propylpiperazine-1-carboxamide?
The IUPAC name of 3-(2-amino-2-oxoethyl)-4-[(2,3-dimethoxyphenyl)methyl]-N-propylpiperazine-1-carboxamide (CID 69348802) is 3-(2-amino-2-oxoethyl)-4-[(2,3-dimethoxyphenyl)methyl]-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 3-(2-amino-2-oxoethyl)-4-[(2,3-dimethoxyphenyl)methyl]-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 3-(2-amino-2-oxoethyl)-4-[(2,3-dimethoxyphenyl)methyl]-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(Cc2cccc(OC)c2OC)C(CC(N)=O)C1.
What is the InChIKey of 3-(2-amino-2-oxoethyl)-4-[(2,3-dimethoxyphenyl)methyl]-N-propylpiperazine-1-carboxamide?
The InChIKey is WUFCKKUWVJSGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O4/c1-4-8-21-19(25)23-10-9-22(15(13-23)11-17(20)24)12-14-6-5-7-16(26-2)18(14)27-3/h5-7,15H,4,8-13H2,1-3H3,(H2,20,24)(H,21,25).
What are the key properties of 3-(2-amino-2-oxoethyl)-4-[(2,3-dimethoxyphenyl)methyl]-N-propylpiperazine-1-carboxamide?
3-(2-amino-2-oxoethyl)-4-[(2,3-dimethoxyphenyl)methyl]-N-propylpiperazine-1-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethyl)-4-[(2,3-dimethoxyphenyl)methyl]-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 69348802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).