[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone

C11H14F2N2O — CID 129348654

IUPAC[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone
SMILESC[C@@H]1CCN(C(=O)c2cc[nH]c2)CC1(F)F
InChIInChI=1S/C11H14F2N2O/c1-8-3-5-15(7-11(8,12)13)10(16)9-2-4-14-6-9/h2,4,6,8,14H,3,5,7H2,1H3/t8-/m1/s1
InChIKeyAGKRGCIJZCVPAS-MRVPVSSYSA-N
MW228.24 g/mol
LogP2.13
Rot. Bonds1

About [(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone

[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone (PubChem CID 129348654) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is [(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone
PubChem CID129348654
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone
SMILESC[C@@H]1CCN(C(=O)c2cc[nH]c2)CC1(F)F
InChIInChI=1S/C11H14F2N2O/c1-8-3-5-15(7-11(8,12)13)10(16)9-2-4-14-6-9/h2,4,6,8,14H,3,5,7H2,1H3/t8-/m1/s1
InChIKeyAGKRGCIJZCVPAS-MRVPVSSYSA-N
XLogP2.13
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone?
The IUPAC name of [(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone (CID 129348654) is [(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for [(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for [(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone is C[C@@H]1CCN(C(=O)c2cc[nH]c2)CC1(F)F.
What is the InChIKey of [(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone?
The InChIKey is AGKRGCIJZCVPAS-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-8-3-5-15(7-11(8,12)13)10(16)9-2-4-14-6-9/h2,4,6,8,14H,3,5,7H2,1H3/t8-/m1/s1.
What are the key properties of [(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone?
[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone has a molecular weight of 228.24 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 129348654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).