1-[4-[3,3-difluoro-4-(3-propylazetidin-1-yl)piperidin-1-yl]piperidin-1-yl]propan-1-one

C19H33F2N3O — CID 176558686

IUPAC1-[4-[3,3-difluoro-4-(3-propylazetidin-1-yl)piperidin-1-yl]piperidin-1-yl]propan-1-one
SMILESCCCC1CN(C2CCN(C3CCN(C(=O)CC)CC3)CC2(F)F)C1
InChIInChI=1S/C19H33F2N3O/c1-3-5-15-12-24(13-15)17-8-11-23(14-19(17,20)21)16-6-9-22(10-7-16)18(25)4-2/h15-17H,3-14H2,1-2H3
InChIKeyMAIXEKAFTQMYMJ-UHFFFAOYSA-N
MW357.49 g/mol
LogP2.83
Rot. Bonds5

About 1-[4-[3,3-difluoro-4-(3-propylazetidin-1-yl)piperidin-1-yl]piperidin-1-yl]propan-1-one

1-[4-[3,3-difluoro-4-(3-propylazetidin-1-yl)piperidin-1-yl]piperidin-1-yl]propan-1-one (PubChem CID 176558686) has the molecular formula C19H33F2N3O and a molecular weight of 357.49 g/mol. Its IUPAC name is 1-[4-[3,3-difluoro-4-(3-propylazetidin-1-yl)piperidin-1-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[3,3-difluoro-4-(3-propylazetidin-1-yl)piperidin-1-yl]piperidin-1-yl]propan-1-one
PubChem CID176558686
Molecular FormulaC19H33F2N3O
Molecular Weight357.49 g/mol
Exact Mass357.26
IUPAC Name1-[4-[3,3-difluoro-4-(3-propylazetidin-1-yl)piperidin-1-yl]piperidin-1-yl]propan-1-one
SMILESCCCC1CN(C2CCN(C3CCN(C(=O)CC)CC3)CC2(F)F)C1
InChIInChI=1S/C19H33F2N3O/c1-3-5-15-12-24(13-15)17-8-11-23(14-19(17,20)21)16-6-9-22(10-7-16)18(25)4-2/h15-17H,3-14H2,1-2H3
InChIKeyMAIXEKAFTQMYMJ-UHFFFAOYSA-N
XLogP2.83
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[3,3-difluoro-4-(3-propylazetidin-1-yl)piperidin-1-yl]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

N-[(1-cyclopentyl-3-piperidinyl)methyl]-4,4,4-trifluoro-N-[2-(1-piperidinyl)ethyl]butanamide
CID 45227748
1-(3,3-difluoroazetidin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 66580841
1-(3,3-difluoroazetidin-1-yl)-3-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 68267611
1-(3,3-Difluoroazetidin-1-yl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 77147832
N-(3-tert-butyl-1-methylpiperidin-4-yl)-N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide
CID 91511901
1-[4-(4-Ethylpiperidin-1-yl)piperidin-1-yl]-2,2-difluoropropan-1-one
CID 117617389
1-[4-(4-Ethylpiperidin-1-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 117617721
(1-Tert-butylpiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone
CID 118531418
(1-Methylpiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone
CID 118534927
1-[4-[3-(Trifluoromethyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 122269555
2,2-Dimethyl-1-[6-(2,2,2-trifluoroethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one
CID 126750261
2,2-Dimethyl-1-[6-(3,3,3-trifluoropropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one
CID 126750264

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3,3-difluoro-4-(3-propylazetidin-1-yl)piperidin-1-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[3,3-difluoro-4-(3-propylazetidin-1-yl)piperidin-1-yl]piperidin-1-yl]propan-1-one (CID 176558686) is 1-[4-[3,3-difluoro-4-(3-propylazetidin-1-yl)piperidin-1-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[3,3-difluoro-4-(3-propylazetidin-1-yl)piperidin-1-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[3,3-difluoro-4-(3-propylazetidin-1-yl)piperidin-1-yl]piperidin-1-yl]propan-1-one is CCCC1CN(C2CCN(C3CCN(C(=O)CC)CC3)CC2(F)F)C1.
What is the InChIKey of 1-[4-[3,3-difluoro-4-(3-propylazetidin-1-yl)piperidin-1-yl]piperidin-1-yl]propan-1-one?
The InChIKey is MAIXEKAFTQMYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33F2N3O/c1-3-5-15-12-24(13-15)17-8-11-23(14-19(17,20)21)16-6-9-22(10-7-16)18(25)4-2/h15-17H,3-14H2,1-2H3.
What are the key properties of 1-[4-[3,3-difluoro-4-(3-propylazetidin-1-yl)piperidin-1-yl]piperidin-1-yl]propan-1-one?
1-[4-[3,3-difluoro-4-(3-propylazetidin-1-yl)piperidin-1-yl]piperidin-1-yl]propan-1-one has a molecular weight of 357.49 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3,3-difluoro-4-(3-propylazetidin-1-yl)piperidin-1-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 176558686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).