N-(2-hydroxyethyl)-N,4-dimethylpiperazine-1-carboxamide

C9H19N3O2 — CID 97301854

IUPACN-(2-hydroxyethyl)-N,4-dimethylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)N(C)CCO)CC1
InChIInChI=1S/C9H19N3O2/c1-10-3-5-12(6-4-10)9(14)11(2)7-8-13/h13H,3-8H2,1-2H3
InChIKeyLEXBQECMNMDMSC-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.72
Rot. Bonds2

About N-(2-hydroxyethyl)-N,4-dimethylpiperazine-1-carboxamide

N-(2-hydroxyethyl)-N,4-dimethylpiperazine-1-carboxamide (PubChem CID 97301854) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N,4-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N,4-dimethylpiperazine-1-carboxamide
PubChem CID97301854
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN-(2-hydroxyethyl)-N,4-dimethylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)N(C)CCO)CC1
InChIInChI=1S/C9H19N3O2/c1-10-3-5-12(6-4-10)9(14)11(2)7-8-13/h13H,3-8H2,1-2H3
InChIKeyLEXBQECMNMDMSC-UHFFFAOYSA-N
XLogP-0.72
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N,4-dimethylpiperazine-1-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N,4-dimethylpiperazine-1-carboxamide (CID 97301854) is N-(2-hydroxyethyl)-N,4-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N,4-dimethylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N,4-dimethylpiperazine-1-carboxamide is CN1CCN(C(=O)N(C)CCO)CC1.
What is the InChIKey of N-(2-hydroxyethyl)-N,4-dimethylpiperazine-1-carboxamide?
The InChIKey is LEXBQECMNMDMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-10-3-5-12(6-4-10)9(14)11(2)7-8-13/h13H,3-8H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N,4-dimethylpiperazine-1-carboxamide?
N-(2-hydroxyethyl)-N,4-dimethylpiperazine-1-carboxamide has a molecular weight of 201.27 g/mol, XLogP of -0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N,4-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 97301854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).