[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone

C18H20F2N2O — CID 56919166

IUPAC[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)N1CCCC(CCc2c(F)cccc2F)C1
InChIInChI=1S/C18H20F2N2O/c19-15-5-1-6-16(20)14(15)9-8-13-4-3-11-22(12-13)18(23)17-7-2-10-21-17/h1-2,5-7,10,13,21H,3-4,8-9,11-12H2
InChIKeyGOWCWHBXDHQWGE-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.78
Rot. Bonds4

About [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone

[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 56919166) has the molecular formula C18H20F2N2O and a molecular weight of 318.37 g/mol. Its IUPAC name is [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
PubChem CID56919166
Molecular FormulaC18H20F2N2O
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)N1CCCC(CCc2c(F)cccc2F)C1
InChIInChI=1S/C18H20F2N2O/c19-15-5-1-6-16(20)14(15)9-8-13-4-3-11-22(12-13)18(23)17-7-2-10-21-17/h1-2,5-7,10,13,21H,3-4,8-9,11-12H2
InChIKeyGOWCWHBXDHQWGE-UHFFFAOYSA-N
XLogP3.78
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 95559981
[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95463500
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95552871
[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 56872964
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 42395196
2-amino-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone
CID 95548860
1-[5-[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone
CID 26396263
2-cyclopropyl-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone
CID 25452784
[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 56872892
1-[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-2-methylsulfanylethanone
CID 45237227
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 25299156
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 26318399

Frequently Asked Questions

What is the IUPAC name of [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone?
The IUPAC name of [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone (CID 56919166) is [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone is O=C(c1ccc[nH]1)N1CCCC(CCc2c(F)cccc2F)C1.
What is the InChIKey of [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone?
The InChIKey is GOWCWHBXDHQWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O/c19-15-5-1-6-16(20)14(15)9-8-13-4-3-11-22(12-13)18(23)17-7-2-10-21-17/h1-2,5-7,10,13,21H,3-4,8-9,11-12H2.
What are the key properties of [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone?
[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 318.37 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 56919166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).