[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone

C11H18F2N2O — CID 129494430

IUPAC[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone
SMILESO=C([C@@H]1CCCCN1)N1CC[C@@H](C(F)F)C1
InChIInChI=1S/C11H18F2N2O/c12-10(13)8-4-6-15(7-8)11(16)9-3-1-2-5-14-9/h8-10,14H,1-7H2/t8-,9+/m1/s1
InChIKeyBZRMBLPPYWOURU-BDAKNGLRSA-N
MW232.27 g/mol
LogP1.24
Rot. Bonds2

About [(3R)-3-(difluoromethyl)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone

[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone (PubChem CID 129494430) has the molecular formula C11H18F2N2O and a molecular weight of 232.27 g/mol. Its IUPAC name is [(3R)-3-(difluoromethyl)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone
PubChem CID129494430
Molecular FormulaC11H18F2N2O
Molecular Weight232.27 g/mol
Exact Mass232.14
IUPAC Name[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone
SMILESO=C([C@@H]1CCCCN1)N1CC[C@@H](C(F)F)C1
InChIInChI=1S/C11H18F2N2O/c12-10(13)8-4-6-15(7-8)11(16)9-3-1-2-5-14-9/h8-10,14H,1-7H2/t8-,9+/m1/s1
InChIKeyBZRMBLPPYWOURU-BDAKNGLRSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azepane-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 64568956
[4-(1-hydroxyethyl)piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119769016
[(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone
CID 113266870
2-[1-[(2S)-piperidine-2-carbonyl]azetidin-3-yl]propanoic acid
CID 104914841
[(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 119787837
piperidin-2-yl-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 119326089
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129393876
[3-(dimethylamino)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 104913920
(3-ethyl-4-hydroxypiperidin-1-yl)-piperidin-2-ylmethanone
CID 121202941
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119336352

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(difluoromethyl)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone?
The IUPAC name of [(3R)-3-(difluoromethyl)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone (CID 129494430) is [(3R)-3-(difluoromethyl)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone.
What is the SMILES notation for [(3R)-3-(difluoromethyl)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone?
The canonical SMILES for [(3R)-3-(difluoromethyl)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone is O=C([C@@H]1CCCCN1)N1CC[C@@H](C(F)F)C1.
What is the InChIKey of [(3R)-3-(difluoromethyl)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone?
The InChIKey is BZRMBLPPYWOURU-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H18F2N2O/c12-10(13)8-4-6-15(7-8)11(16)9-3-1-2-5-14-9/h8-10,14H,1-7H2/t8-,9+/m1/s1.
What are the key properties of [(3R)-3-(difluoromethyl)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone?
[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone has a molecular weight of 232.27 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(difluoromethyl)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone is sourced from PubChem (CID 129494430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).