N-(3,5-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide

C15H23N3O4 — CID 108869457

IUPACN-(3,5-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCN(CCO)CC2)cc(OC)c1
InChIInChI=1S/C15H23N3O4/c1-21-13-9-12(10-14(11-13)22-2)16-15(20)18-5-3-17(4-6-18)7-8-19/h9-11,19H,3-8H2,1-2H3,(H,16,20)
InChIKeyFQAPKJZXGQWUBT-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.85
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide

N-(3,5-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide (PubChem CID 108869457) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
PubChem CID108869457
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC NameN-(3,5-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCN(CCO)CC2)cc(OC)c1
InChIInChI=1S/C15H23N3O4/c1-21-13-9-12(10-14(11-13)22-2)16-15(20)18-5-3-17(4-6-18)7-8-19/h9-11,19H,3-8H2,1-2H3,(H,16,20)
InChIKeyFQAPKJZXGQWUBT-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

N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 47162141
N-(3,5-dihydroxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108895469
N-(2,6-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108867927
4-(2-hydroxyethyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 43393054
N-(4-fluorophenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 3030092
N-(3,5-dimethoxyphenyl)-2,5-dihydropyrrole-1-carboxamide
CID 4994104
4-cyclopentyl-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide
CID 86986929
N-(3-methoxyphenyl)-4-propyl-1,4-diazepane-1-carboxamide
CID 47090396
4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]benzoic acid
CID 61202930
4-(2-aminoethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 108866656
N-(3-methoxyphenyl)-4-(4-methylpentyl)piperazine-1-carboxamide
CID 59413874
N-[4-(aminomethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 43592283

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide (CID 108869457) is N-(3,5-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide is COc1cc(NC(=O)N2CCN(CCO)CC2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide?
The InChIKey is FQAPKJZXGQWUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-21-13-9-12(10-14(11-13)22-2)16-15(20)18-5-3-17(4-6-18)7-8-19/h9-11,19H,3-8H2,1-2H3,(H,16,20).
What are the key properties of N-(3,5-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide?
N-(3,5-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-(3,5-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 108869457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).