[(4R)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-(1-propan-2-ylazetidin-3-yl)methanone

C20H35F2N3O — CID 176796831

IUPAC[(4R)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-(1-propan-2-ylazetidin-3-yl)methanone
SMILESCC(C)C1CCN([C@@H]2CCN(C(=O)C3CN(C(C)C)C3)CC2(F)F)CC1
InChIInChI=1S/C20H35F2N3O/c1-14(2)16-5-8-23(9-6-16)18-7-10-24(13-20(18,21)22)19(26)17-11-25(12-17)15(3)4/h14-18H,5-13H2,1-4H3/t18-/m1/s1
InChIKeyLGVVJZLIFUPYKF-GOSISDBHSA-N
MW371.52 g/mol
LogP2.93
Rot. Bonds4

About [(4R)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-(1-propan-2-ylazetidin-3-yl)methanone

[(4R)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-(1-propan-2-ylazetidin-3-yl)methanone (PubChem CID 176796831) has the molecular formula C20H35F2N3O and a molecular weight of 371.52 g/mol. Its IUPAC name is [(4R)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-(1-propan-2-ylazetidin-3-yl)methanone.

Molecular Properties

Compound Name[(4R)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-(1-propan-2-ylazetidin-3-yl)methanone
PubChem CID176796831
Molecular FormulaC20H35F2N3O
Molecular Weight371.52 g/mol
Exact Mass371.27
IUPAC Name[(4R)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-(1-propan-2-ylazetidin-3-yl)methanone
SMILESCC(C)C1CCN([C@@H]2CCN(C(=O)C3CN(C(C)C)C3)CC2(F)F)CC1
InChIInChI=1S/C20H35F2N3O/c1-14(2)16-5-8-23(9-6-16)18-7-10-24(13-20(18,21)22)19(26)17-11-25(12-17)15(3)4/h14-18H,5-13H2,1-4H3/t18-/m1/s1
InChIKeyLGVVJZLIFUPYKF-GOSISDBHSA-N
XLogP2.93
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylpiperidin-1-yl)-(1-propan-2-ylazetidin-3-yl)methanone
CID 171093987
(1-propan-2-ylpiperidin-4-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 168752402
(1-propan-2-ylpiperidin-4-yl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone
CID 168752483
(4R)-3,3-difluoro-1-(3-methylbutyl)-4-(4-propan-2-ylpiperidin-1-yl)piperidine
CID 176796984
1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one
CID 165059219
N-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]acetamide;molecular hydrogen
CID 154671509
cyclopentyl-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)methanone
CID 162278259
[(3R)-3-methyl-4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]-(1-propan-2-ylazetidin-3-yl)methanone
CID 176796863
(4R)-1-(3,3-dimethylbutyl)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidine
CID 177134647
tert-butyl 3,3-difluoro-4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate
CID 162725814
[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 176796856
cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764605

Frequently Asked Questions

What is the IUPAC name of [(4R)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-(1-propan-2-ylazetidin-3-yl)methanone?
The IUPAC name of [(4R)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-(1-propan-2-ylazetidin-3-yl)methanone (CID 176796831) is [(4R)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-(1-propan-2-ylazetidin-3-yl)methanone.
What is the SMILES notation for [(4R)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-(1-propan-2-ylazetidin-3-yl)methanone?
The canonical SMILES for [(4R)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-(1-propan-2-ylazetidin-3-yl)methanone is CC(C)C1CCN([C@@H]2CCN(C(=O)C3CN(C(C)C)C3)CC2(F)F)CC1.
What is the InChIKey of [(4R)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-(1-propan-2-ylazetidin-3-yl)methanone?
The InChIKey is LGVVJZLIFUPYKF-GOSISDBHSA-N. The full InChI is InChI=1S/C20H35F2N3O/c1-14(2)16-5-8-23(9-6-16)18-7-10-24(13-20(18,21)22)19(26)17-11-25(12-17)15(3)4/h14-18H,5-13H2,1-4H3/t18-/m1/s1.
What are the key properties of [(4R)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-(1-propan-2-ylazetidin-3-yl)methanone?
[(4R)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-(1-propan-2-ylazetidin-3-yl)methanone has a molecular weight of 371.52 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-(1-propan-2-ylazetidin-3-yl)methanone is sourced from PubChem (CID 176796831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).