N-[(3R)-1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2,2-difluoroacetamide

C14H14F4N2O3 — CID 99842219

IUPACN-[(3R)-1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2,2-difluoroacetamide
SMILESO=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)C(F)F
InChIInChI=1S/C14H14F4N2O3/c15-11(16)12(21)19-10-2-1-7-20(13(10)22)8-3-5-9(6-4-8)23-14(17)18/h3-6,10-11,14H,1-2,7H2,(H,19,21)/t10-/m1/s1
InChIKeyLNBIPCLMFMIHKJ-SNVBAGLBSA-N
MW334.27 g/mol
LogP2.16
Rot. Bonds5

About N-[(3R)-1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2,2-difluoroacetamide

N-[(3R)-1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2,2-difluoroacetamide (PubChem CID 99842219) has the molecular formula C14H14F4N2O3 and a molecular weight of 334.27 g/mol. Its IUPAC name is N-[(3R)-1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[(3R)-1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2,2-difluoroacetamide
PubChem CID99842219
Molecular FormulaC14H14F4N2O3
Molecular Weight334.27 g/mol
Exact Mass334.09
IUPAC NameN-[(3R)-1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2,2-difluoroacetamide
SMILESO=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)C(F)F
InChIInChI=1S/C14H14F4N2O3/c15-11(16)12(21)19-10-2-1-7-20(13(10)22)8-3-5-9(6-4-8)23-14(17)18/h3-6,10-11,14H,1-2,7H2,(H,19,21)/t10-/m1/s1
InChIKeyLNBIPCLMFMIHKJ-SNVBAGLBSA-N
XLogP2.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2,2-difluoroacetamide?
The IUPAC name of N-[(3R)-1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2,2-difluoroacetamide (CID 99842219) is N-[(3R)-1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[(3R)-1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2,2-difluoroacetamide?
The canonical SMILES for N-[(3R)-1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2,2-difluoroacetamide is O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)C(F)F.
What is the InChIKey of N-[(3R)-1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2,2-difluoroacetamide?
The InChIKey is LNBIPCLMFMIHKJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H14F4N2O3/c15-11(16)12(21)19-10-2-1-7-20(13(10)22)8-3-5-9(6-4-8)23-14(17)18/h3-6,10-11,14H,1-2,7H2,(H,19,21)/t10-/m1/s1.
What are the key properties of N-[(3R)-1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2,2-difluoroacetamide?
N-[(3R)-1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2,2-difluoroacetamide has a molecular weight of 334.27 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2,2-difluoroacetamide is sourced from PubChem (CID 99842219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).