2-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide

C8H17N3O2 — CID 68606927

IUPAC2-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide
SMILESCNC(=O)N1CCNCC1CCO
InChIInChI=1S/C8H17N3O2/c1-9-8(13)11-4-3-10-6-7(11)2-5-12/h7,10,12H,2-6H2,1H3,(H,9,13)
InChIKeyYTYQNUVWVSLIQI-UHFFFAOYSA-N
MW187.24 g/mol
LogP-1.02
Rot. Bonds2

About 2-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide

2-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide (PubChem CID 68606927) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide
PubChem CID68606927
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name2-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide
SMILESCNC(=O)N1CCNCC1CCO
InChIInChI=1S/C8H17N3O2/c1-9-8(13)11-4-3-10-6-7(11)2-5-12/h7,10,12H,2-6H2,1H3,(H,9,13)
InChIKeyYTYQNUVWVSLIQI-UHFFFAOYSA-N
XLogP-1.02
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide?
The IUPAC name of 2-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide (CID 68606927) is 2-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide.
What is the SMILES notation for 2-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide?
The canonical SMILES for 2-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide is CNC(=O)N1CCNCC1CCO.
What is the InChIKey of 2-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide?
The InChIKey is YTYQNUVWVSLIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-9-8(13)11-4-3-10-6-7(11)2-5-12/h7,10,12H,2-6H2,1H3,(H,9,13).
What are the key properties of 2-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide?
2-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide has a molecular weight of 187.24 g/mol, XLogP of -1.02, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide is sourced from PubChem (CID 68606927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).