N-(2,6-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide

C15H23N3O4 — CID 108867927

IUPACN-(2,6-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
SMILESCOc1cccc(OC)c1NC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C15H23N3O4/c1-21-12-4-3-5-13(22-2)14(12)16-15(20)18-8-6-17(7-9-18)10-11-19/h3-5,19H,6-11H2,1-2H3,(H,16,20)
InChIKeyVHYKMVQCUUSKON-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.85
Rot. Bonds5

About N-(2,6-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide

N-(2,6-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide (PubChem CID 108867927) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(2,6-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
PubChem CID108867927
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC NameN-(2,6-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
SMILESCOc1cccc(OC)c1NC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C15H23N3O4/c1-21-12-4-3-5-13(22-2)14(12)16-15(20)18-8-6-17(7-9-18)10-11-19/h3-5,19H,6-11H2,1-2H3,(H,16,20)
InChIKeyVHYKMVQCUUSKON-UHFFFAOYSA-N
XLogP0.85
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-hydroxyethyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 43393054
N-(2,6-dimethoxyphenyl)-4-ethylpiperazine-1-carboxamide
CID 108867993
N-(3,5-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108869457
4-(2-hydroxyethyl)-N-[(E)-2-(2-methoxyphenyl)ethenyl]piperazine-1-carboxamide
CID 108903982
N-(2,6-dimethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104947
N-(2-methoxyphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109273
4-(3-oxopropyl)-N-(2,4,6-trimethoxyphenyl)piperazine-1-carboxamide
CID 87851551
N-(4-fluorophenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 3030092
N-[2-(aminomethyl)-6-methoxyphenyl]azepane-1-carboxamide
CID 107467309
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone
CID 63308302
N-[2,6-di(propan-2-yl)phenyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113105012
2-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]ethanol
CID 94276618

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide?
The IUPAC name of N-(2,6-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide (CID 108867927) is N-(2,6-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,6-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,6-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide is COc1cccc(OC)c1NC(=O)N1CCN(CCO)CC1.
What is the InChIKey of N-(2,6-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide?
The InChIKey is VHYKMVQCUUSKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-21-12-4-3-5-13(22-2)14(12)16-15(20)18-8-6-17(7-9-18)10-11-19/h3-5,19H,6-11H2,1-2H3,(H,16,20).
What are the key properties of N-(2,6-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide?
N-(2,6-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 108867927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).