N-(2-hydroxyethyl)-4-methylpiperazine-1-carboxamide

C8H17N3O2 — CID 14084850

IUPACN-(2-hydroxyethyl)-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCCO)CC1
InChIInChI=1S/C8H17N3O2/c1-10-3-5-11(6-4-10)8(13)9-2-7-12/h12H,2-7H2,1H3,(H,9,13)
InChIKeyOPWWESRJWHOPFK-UHFFFAOYSA-N
MW187.24 g/mol
LogP-1.06
Rot. Bonds2

About N-(2-hydroxyethyl)-4-methylpiperazine-1-carboxamide

N-(2-hydroxyethyl)-4-methylpiperazine-1-carboxamide (PubChem CID 14084850) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-methylpiperazine-1-carboxamide
PubChem CID14084850
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC NameN-(2-hydroxyethyl)-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCCO)CC1
InChIInChI=1S/C8H17N3O2/c1-10-3-5-11(6-4-10)8(13)9-2-7-12/h12H,2-7H2,1H3,(H,9,13)
InChIKeyOPWWESRJWHOPFK-UHFFFAOYSA-N
XLogP-1.06
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-4-methylpiperazine-1-carboxamide (CID 14084850) is N-(2-hydroxyethyl)-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-methylpiperazine-1-carboxamide is CN1CCN(C(=O)NCCO)CC1.
What is the InChIKey of N-(2-hydroxyethyl)-4-methylpiperazine-1-carboxamide?
The InChIKey is OPWWESRJWHOPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-10-3-5-11(6-4-10)8(13)9-2-7-12/h12H,2-7H2,1H3,(H,9,13).
What are the key properties of N-(2-hydroxyethyl)-4-methylpiperazine-1-carboxamide?
N-(2-hydroxyethyl)-4-methylpiperazine-1-carboxamide has a molecular weight of 187.24 g/mol, XLogP of -1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 14084850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).