N-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)acetamide

C10H18F2N2O — CID 139302173

IUPACN-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCC(=O)NC1CCN(C(C)C)CC1(F)F
InChIInChI=1S/C10H18F2N2O/c1-7(2)14-5-4-9(13-8(3)15)10(11,12)6-14/h7,9H,4-6H2,1-3H3,(H,13,15)
InChIKeyUMNGJRWPGNCWAP-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.24
Rot. Bonds2

About N-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)acetamide

N-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)acetamide (PubChem CID 139302173) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is N-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)acetamide
PubChem CID139302173
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC NameN-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCC(=O)NC1CCN(C(C)C)CC1(F)F
InChIInChI=1S/C10H18F2N2O/c1-7(2)14-5-4-9(13-8(3)15)10(11,12)6-14/h7,9H,4-6H2,1-3H3,(H,13,15)
InChIKeyUMNGJRWPGNCWAP-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of N-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)acetamide (CID 139302173) is N-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for N-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)acetamide is CC(=O)NC1CCN(C(C)C)CC1(F)F.
What is the InChIKey of N-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)acetamide?
The InChIKey is UMNGJRWPGNCWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c1-7(2)14-5-4-9(13-8(3)15)10(11,12)6-14/h7,9H,4-6H2,1-3H3,(H,13,15).
What are the key properties of N-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)acetamide?
N-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)acetamide has a molecular weight of 220.26 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 139302173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).