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

C11H14F2N2O — CID 129487614

IUPAC[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone
SMILESC[C@@H]1CN(C(=O)c2cc[nH]c2)CCC1(F)F
InChIInChI=1S/C11H14F2N2O/c1-8-7-15(5-3-11(8,12)13)10(16)9-2-4-14-6-9/h2,4,6,8,14H,3,5,7H2,1H3/t8-/m1/s1
InChIKeyBLNWPHZMBMUZQT-MRVPVSSYSA-N
MW228.24 g/mol
LogP2.13
Rot. Bonds1

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

[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone (PubChem CID 129487614) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is [(3R)-4,4-difluoro-3-methylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone
PubChem CID129487614
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone
SMILESC[C@@H]1CN(C(=O)c2cc[nH]c2)CCC1(F)F
InChIInChI=1S/C11H14F2N2O/c1-8-7-15(5-3-11(8,12)13)10(16)9-2-4-14-6-9/h2,4,6,8,14H,3,5,7H2,1H3/t8-/m1/s1
InChIKeyBLNWPHZMBMUZQT-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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Related Compounds

1-[4-(4,4-difluoro-3-methylpiperidine-1-carbonyl)phenyl]imidazolidin-2-one
CID 136543686
(3-hydroxypiperidin-1-yl)-(1H-pyrrol-3-yl)methanone
CID 115276942
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(1H-pyrrol-3-yl)methanone
CID 110691096
cyclopenten-1-yl-(4,4-difluoro-3-methylpiperidin-1-yl)methanone
CID 126785948
azepan-1-yl(1H-pyrrol-3-yl)methanone
CID 110691126
5-methyl-9-(1H-pyrrole-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131689982
(1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)-(1H-pyrrol-3-yl)methanone
CID 131687718
[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 129478430
[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815355
1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxylic acid
CID 82472992
cyclobutyl-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110803788
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1H-pyrrol-3-yl)methanone
CID 128964952

Frequently Asked Questions

What is the IUPAC name of [(3R)-4,4-difluoro-3-methylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone?
The IUPAC name of [(3R)-4,4-difluoro-3-methylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone (CID 129487614) is [(3R)-4,4-difluoro-3-methylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for [(3R)-4,4-difluoro-3-methylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for [(3R)-4,4-difluoro-3-methylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone is C[C@@H]1CN(C(=O)c2cc[nH]c2)CCC1(F)F.
What is the InChIKey of [(3R)-4,4-difluoro-3-methylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone?
The InChIKey is BLNWPHZMBMUZQT-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-8-7-15(5-3-11(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 [(3R)-4,4-difluoro-3-methylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone?
[(3R)-4,4-difluoro-3-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 [(3R)-4,4-difluoro-3-methylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 129487614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).