2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]acetamide

C16H27F2N3O3S — CID 119785758

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)NCC1CCN(S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C16H27F2N3O3S/c17-16(18)25(23,24)21-5-3-11(4-6-21)10-19-15(22)9-12-7-13-1-2-14(8-12)20-13/h11-14,16,20H,1-10H2,(H,19,22)
InChIKeyAXWJSHMNKZTCBS-UHFFFAOYSA-N
MW379.47 g/mol
LogP1.29
Rot. Bonds6

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]acetamide (PubChem CID 119785758) has the molecular formula C16H27F2N3O3S and a molecular weight of 379.47 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]acetamide
PubChem CID119785758
Molecular FormulaC16H27F2N3O3S
Molecular Weight379.47 g/mol
Exact Mass379.17
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)NCC1CCN(S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C16H27F2N3O3S/c17-16(18)25(23,24)21-5-3-11(4-6-21)10-19-15(22)9-12-7-13-1-2-14(8-12)20-13/h11-14,16,20H,1-10H2,(H,19,22)
InChIKeyAXWJSHMNKZTCBS-UHFFFAOYSA-N
XLogP1.29
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]acetamide with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 79610800
N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-2-[(1R)-2,2-dimethylcyclohexyl]acetamide
CID 99819052
N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-2-(2,2-dimethylcyclohexyl)acetamide
CID 126770226
(2R)-2-amino-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]propanamide
CID 119324850
N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119324843
N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbutanamide
CID 119785752
N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-2-methoxyethanamine
CID 55258397
4-acetyl-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-N'-methylpiperazine-1-carboximidamide
CID 119160245
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-oxopyrrolidin-2-yl)methyl]acetamide
CID 79615615
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide;trihydrochloride
CID 119903262
1-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-2,3-dimethylguanidine;hydroiodide
CID 119129581
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-ethylpiperidin-2-yl)methyl]acetamide
CID 119875446

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]acetamide (CID 119785758) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]acetamide is O=C(CC1CC2CCC(C1)N2)NCC1CCN(S(=O)(=O)C(F)F)CC1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is AXWJSHMNKZTCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F2N3O3S/c17-16(18)25(23,24)21-5-3-11(4-6-21)10-19-15(22)9-12-7-13-1-2-14(8-12)20-13/h11-14,16,20H,1-10H2,(H,19,22).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 379.47 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 119785758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).