4-(2-hydroxyethyl)-N-(2-methylprop-1-enyl)piperazine-1-carboxamide

C11H21N3O2 — CID 108909922

IUPAC4-(2-hydroxyethyl)-N-(2-methylprop-1-enyl)piperazine-1-carboxamide
SMILESCC(C)=CNC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C11H21N3O2/c1-10(2)9-12-11(16)14-5-3-13(4-6-14)7-8-15/h9,15H,3-8H2,1-2H3,(H,12,16)
InChIKeyAPJNPMKCACKTKD-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.23
Rot. Bonds3

About 4-(2-hydroxyethyl)-N-(2-methylprop-1-enyl)piperazine-1-carboxamide

4-(2-hydroxyethyl)-N-(2-methylprop-1-enyl)piperazine-1-carboxamide (PubChem CID 108909922) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-N-(2-methylprop-1-enyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-N-(2-methylprop-1-enyl)piperazine-1-carboxamide
PubChem CID108909922
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name4-(2-hydroxyethyl)-N-(2-methylprop-1-enyl)piperazine-1-carboxamide
SMILESCC(C)=CNC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C11H21N3O2/c1-10(2)9-12-11(16)14-5-3-13(4-6-14)7-8-15/h9,15H,3-8H2,1-2H3,(H,12,16)
InChIKeyAPJNPMKCACKTKD-UHFFFAOYSA-N
XLogP0.23
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-N-(2-methylprop-1-enyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-hydroxyethyl)-N-(2-methylprop-1-enyl)piperazine-1-carboxamide (CID 108909922) is 4-(2-hydroxyethyl)-N-(2-methylprop-1-enyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-hydroxyethyl)-N-(2-methylprop-1-enyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-hydroxyethyl)-N-(2-methylprop-1-enyl)piperazine-1-carboxamide is CC(C)=CNC(=O)N1CCN(CCO)CC1.
What is the InChIKey of 4-(2-hydroxyethyl)-N-(2-methylprop-1-enyl)piperazine-1-carboxamide?
The InChIKey is APJNPMKCACKTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-10(2)9-12-11(16)14-5-3-13(4-6-14)7-8-15/h9,15H,3-8H2,1-2H3,(H,12,16).
What are the key properties of 4-(2-hydroxyethyl)-N-(2-methylprop-1-enyl)piperazine-1-carboxamide?
4-(2-hydroxyethyl)-N-(2-methylprop-1-enyl)piperazine-1-carboxamide has a molecular weight of 227.31 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-N-(2-methylprop-1-enyl)piperazine-1-carboxamide is sourced from PubChem (CID 108909922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).