N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylpiperazine-2-carboxamide

C10H19F2N3O2 — CID 107480025

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylpiperazine-2-carboxamide
SMILESCC1CNC(C(=O)N(CCO)CC(F)F)CN1
InChIInChI=1S/C10H19F2N3O2/c1-7-4-14-8(5-13-7)10(17)15(2-3-16)6-9(11)12/h7-9,13-14,16H,2-6H2,1H3
InChIKeyVQHIWVYNZWKBTA-UHFFFAOYSA-N
MW251.28 g/mol
LogP-0.98
Rot. Bonds5

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylpiperazine-2-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylpiperazine-2-carboxamide (PubChem CID 107480025) has the molecular formula C10H19F2N3O2 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylpiperazine-2-carboxamide
PubChem CID107480025
Molecular FormulaC10H19F2N3O2
Molecular Weight251.28 g/mol
Exact Mass251.14
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylpiperazine-2-carboxamide
SMILESCC1CNC(C(=O)N(CCO)CC(F)F)CN1
InChIInChI=1S/C10H19F2N3O2/c1-7-4-14-8(5-13-7)10(17)15(2-3-16)6-9(11)12/h7-9,13-14,16H,2-6H2,1H3
InChIKeyVQHIWVYNZWKBTA-UHFFFAOYSA-N
XLogP-0.98
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylpiperazine-2-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylpiperazine-2-carboxamide (CID 107480025) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylpiperazine-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylpiperazine-2-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylpiperazine-2-carboxamide is CC1CNC(C(=O)N(CCO)CC(F)F)CN1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylpiperazine-2-carboxamide?
The InChIKey is VQHIWVYNZWKBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N3O2/c1-7-4-14-8(5-13-7)10(17)15(2-3-16)6-9(11)12/h7-9,13-14,16H,2-6H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylpiperazine-2-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylpiperazine-2-carboxamide has a molecular weight of 251.28 g/mol, XLogP of -0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylpiperazine-2-carboxamide is sourced from PubChem (CID 107480025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).