2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide

C10H18F2N4O2 — CID 48943846

IUPAC2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN1CCN(CC(F)F)CC1
InChIInChI=1S/C10H18F2N4O2/c1-13-10(18)14-9(17)7-16-4-2-15(3-5-16)6-8(11)12/h8H,2-7H2,1H3,(H2,13,14,17,18)
InChIKeySZXRYYHEXHJSEO-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.68
Rot. Bonds4

About 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide

2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide (PubChem CID 48943846) has the molecular formula C10H18F2N4O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide
PubChem CID48943846
Molecular FormulaC10H18F2N4O2
Molecular Weight264.28 g/mol
Exact Mass264.14
IUPAC Name2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN1CCN(CC(F)F)CC1
InChIInChI=1S/C10H18F2N4O2/c1-13-10(18)14-9(17)7-16-4-2-15(3-5-16)6-8(11)12/h8H,2-7H2,1H3,(H2,13,14,17,18)
InChIKeySZXRYYHEXHJSEO-UHFFFAOYSA-N
XLogP-0.68
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(methylamino)piperidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 119923266
2-(4-hydroxy-4-methylpiperidin-1-yl)-N-(methylcarbamoyl)acetamide
CID 80703621
methyl 3-[4-[2-(methylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]propanoate
CID 78982381
2-(4-benzhydrylpiperazin-1-yl)-N-(methylcarbamoyl)acetamide
CID 31338650
4-methyl-1-[2-(methylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 63124888
2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 9023338
2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 9349018
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 119922349
3-[4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 94007632
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 80552650
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 8771417
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 81493119

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide (CID 48943846) is 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CN1CCN(CC(F)F)CC1.
What is the InChIKey of 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide?
The InChIKey is SZXRYYHEXHJSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N4O2/c1-13-10(18)14-9(17)7-16-4-2-15(3-5-16)6-8(11)12/h8H,2-7H2,1H3,(H2,13,14,17,18).
What are the key properties of 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide?
2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide has a molecular weight of 264.28 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 48943846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).