N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-yl]acetamide

C19H29F5N2O3 — CID 164603900

IUPACN-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CCC(C(F)(F)F)CC1)C(C)OCC1CCC(F)(F)CC1
InChIInChI=1S/C19H29F5N2O3/c1-12(29-11-14-3-7-18(20,21)8-4-14)16(25-13(2)27)17(28)26-9-5-15(6-10-26)19(22,23)24/h12,14-16H,3-11H2,1-2H3,(H,25,27)
InChIKeyHEFHWMPQTMLJDH-UHFFFAOYSA-N
MW428.44 g/mol
LogP3.52
Rot. Bonds6

About N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-yl]acetamide

N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-yl]acetamide (PubChem CID 164603900) has the molecular formula C19H29F5N2O3 and a molecular weight of 428.44 g/mol. Its IUPAC name is N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-yl]acetamide
PubChem CID164603900
Molecular FormulaC19H29F5N2O3
Molecular Weight428.44 g/mol
Exact Mass428.21
IUPAC NameN-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CCC(C(F)(F)F)CC1)C(C)OCC1CCC(F)(F)CC1
InChIInChI=1S/C19H29F5N2O3/c1-12(29-11-14-3-7-18(20,21)8-4-14)16(25-13(2)27)17(28)26-9-5-15(6-10-26)19(22,23)24/h12,14-16H,3-11H2,1-2H3,(H,25,27)
InChIKeyHEFHWMPQTMLJDH-UHFFFAOYSA-N
XLogP3.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-yl]acetamide?
The IUPAC name of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-yl]acetamide (CID 164603900) is N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-yl]acetamide.
What is the SMILES notation for N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-yl]acetamide?
The canonical SMILES for N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-yl]acetamide is CC(=O)NC(C(=O)N1CCC(C(F)(F)F)CC1)C(C)OCC1CCC(F)(F)CC1.
What is the InChIKey of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-yl]acetamide?
The InChIKey is HEFHWMPQTMLJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F5N2O3/c1-12(29-11-14-3-7-18(20,21)8-4-14)16(25-13(2)27)17(28)26-9-5-15(6-10-26)19(22,23)24/h12,14-16H,3-11H2,1-2H3,(H,25,27).
What are the key properties of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-yl]acetamide?
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-yl]acetamide has a molecular weight of 428.44 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-yl]acetamide is sourced from PubChem (CID 164603900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).