N-[3,3-difluoro-1-[2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)acetyl]piperidin-4-yl]acetamide;ethane

C19H34F2N4O2 — CID 166466689

IUPACN-[3,3-difluoro-1-[2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)acetyl]piperidin-4-yl]acetamide;ethane
SMILESCC.CC(=O)NC1CCN(C(=O)CN2CCC3(CC2)CN(C)C3)CC1(F)F
InChIInChI=1S/C17H28F2N4O2.C2H6/c1-13(24)20-14-3-6-23(12-17(14,18)19)15(25)9-22-7-4-16(5-8-22)10-21(2)11-16;1-2/h14H,3-12H2,1-2H3,(H,20,24);1-2H3
InChIKeyVVUMLDIKDOLQNK-UHFFFAOYSA-N
MW388.50 g/mol
LogP1.41
Rot. Bonds3

About N-[3,3-difluoro-1-[2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)acetyl]piperidin-4-yl]acetamide;ethane

N-[3,3-difluoro-1-[2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)acetyl]piperidin-4-yl]acetamide;ethane (PubChem CID 166466689) has the molecular formula C19H34F2N4O2 and a molecular weight of 388.50 g/mol. Its IUPAC name is N-[3,3-difluoro-1-[2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)acetyl]piperidin-4-yl]acetamide;ethane.

Molecular Properties

Compound NameN-[3,3-difluoro-1-[2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)acetyl]piperidin-4-yl]acetamide;ethane
PubChem CID166466689
Molecular FormulaC19H34F2N4O2
Molecular Weight388.50 g/mol
Exact Mass388.26
IUPAC NameN-[3,3-difluoro-1-[2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)acetyl]piperidin-4-yl]acetamide;ethane
SMILESCC.CC(=O)NC1CCN(C(=O)CN2CCC3(CC2)CN(C)C3)CC1(F)F
InChIInChI=1S/C17H28F2N4O2.C2H6/c1-13(24)20-14-3-6-23(12-17(14,18)19)15(25)9-22-7-4-16(5-8-22)10-21(2)11-16;1-2/h14H,3-12H2,1-2H3,(H,20,24);1-2H3
InChIKeyVVUMLDIKDOLQNK-UHFFFAOYSA-N
XLogP1.41
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3,3-difluoro-1-[2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)acetyl]piperidin-4-yl]acetamide;ethane?
The IUPAC name of N-[3,3-difluoro-1-[2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)acetyl]piperidin-4-yl]acetamide;ethane (CID 166466689) is N-[3,3-difluoro-1-[2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)acetyl]piperidin-4-yl]acetamide;ethane.
What is the SMILES notation for N-[3,3-difluoro-1-[2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)acetyl]piperidin-4-yl]acetamide;ethane?
The canonical SMILES for N-[3,3-difluoro-1-[2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)acetyl]piperidin-4-yl]acetamide;ethane is CC.CC(=O)NC1CCN(C(=O)CN2CCC3(CC2)CN(C)C3)CC1(F)F.
What is the InChIKey of N-[3,3-difluoro-1-[2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)acetyl]piperidin-4-yl]acetamide;ethane?
The InChIKey is VVUMLDIKDOLQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F2N4O2.C2H6/c1-13(24)20-14-3-6-23(12-17(14,18)19)15(25)9-22-7-4-16(5-8-22)10-21(2)11-16;1-2/h14H,3-12H2,1-2H3,(H,20,24);1-2H3.
What are the key properties of N-[3,3-difluoro-1-[2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)acetyl]piperidin-4-yl]acetamide;ethane?
N-[3,3-difluoro-1-[2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)acetyl]piperidin-4-yl]acetamide;ethane has a molecular weight of 388.50 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-difluoro-1-[2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)acetyl]piperidin-4-yl]acetamide;ethane is sourced from PubChem (CID 166466689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).