N-[1-(1-butan-2-yl-3,3-difluoropiperidin-4-yl)piperidin-4-yl]-2-methylpropanamide

C18H33F2N3O — CID 170175651

IUPACN-[1-(1-butan-2-yl-3,3-difluoropiperidin-4-yl)piperidin-4-yl]-2-methylpropanamide
SMILESCCC(C)N1CCC(N2CCC(NC(=O)C(C)C)CC2)C(F)(F)C1
InChIInChI=1S/C18H33F2N3O/c1-5-14(4)23-11-8-16(18(19,20)12-23)22-9-6-15(7-10-22)21-17(24)13(2)3/h13-16H,5-12H2,1-4H3,(H,21,24)
InChIKeyDCDFVOQUOJIVEP-UHFFFAOYSA-N
MW345.48 g/mol
LogP2.73
Rot. Bonds5

About N-[1-(1-butan-2-yl-3,3-difluoropiperidin-4-yl)piperidin-4-yl]-2-methylpropanamide

N-[1-(1-butan-2-yl-3,3-difluoropiperidin-4-yl)piperidin-4-yl]-2-methylpropanamide (PubChem CID 170175651) has the molecular formula C18H33F2N3O and a molecular weight of 345.48 g/mol. Its IUPAC name is N-[1-(1-butan-2-yl-3,3-difluoropiperidin-4-yl)piperidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(1-butan-2-yl-3,3-difluoropiperidin-4-yl)piperidin-4-yl]-2-methylpropanamide
PubChem CID170175651
Molecular FormulaC18H33F2N3O
Molecular Weight345.48 g/mol
Exact Mass345.26
IUPAC NameN-[1-(1-butan-2-yl-3,3-difluoropiperidin-4-yl)piperidin-4-yl]-2-methylpropanamide
SMILESCCC(C)N1CCC(N2CCC(NC(=O)C(C)C)CC2)C(F)(F)C1
InChIInChI=1S/C18H33F2N3O/c1-5-14(4)23-11-8-16(18(19,20)12-23)22-9-6-15(7-10-22)21-17(24)13(2)3/h13-16H,5-12H2,1-4H3,(H,21,24)
InChIKeyDCDFVOQUOJIVEP-UHFFFAOYSA-N
XLogP2.73
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-butan-2-yl-3,3-difluoropiperidin-4-yl)piperidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[1-(1-butan-2-yl-3,3-difluoropiperidin-4-yl)piperidin-4-yl]-2-methylpropanamide (CID 170175651) is N-[1-(1-butan-2-yl-3,3-difluoropiperidin-4-yl)piperidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(1-butan-2-yl-3,3-difluoropiperidin-4-yl)piperidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-(1-butan-2-yl-3,3-difluoropiperidin-4-yl)piperidin-4-yl]-2-methylpropanamide is CCC(C)N1CCC(N2CCC(NC(=O)C(C)C)CC2)C(F)(F)C1.
What is the InChIKey of N-[1-(1-butan-2-yl-3,3-difluoropiperidin-4-yl)piperidin-4-yl]-2-methylpropanamide?
The InChIKey is DCDFVOQUOJIVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33F2N3O/c1-5-14(4)23-11-8-16(18(19,20)12-23)22-9-6-15(7-10-22)21-17(24)13(2)3/h13-16H,5-12H2,1-4H3,(H,21,24).
What are the key properties of N-[1-(1-butan-2-yl-3,3-difluoropiperidin-4-yl)piperidin-4-yl]-2-methylpropanamide?
N-[1-(1-butan-2-yl-3,3-difluoropiperidin-4-yl)piperidin-4-yl]-2-methylpropanamide has a molecular weight of 345.48 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-butan-2-yl-3,3-difluoropiperidin-4-yl)piperidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 170175651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).