[4-[[1-(2,6-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-(furan-2-yl)methanone

C18H20F2N2O3 — CID 154793880

IUPAC[4-[[1-(2,6-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC(NC(CO)c2c(F)cccc2F)CC1
InChIInChI=1S/C18H20F2N2O3/c19-13-3-1-4-14(20)17(13)15(11-23)21-12-6-8-22(9-7-12)18(24)16-5-2-10-25-16/h1-5,10,12,15,21,23H,6-9,11H2
InChIKeyMQAQQZWWHQCJIR-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.49
Rot. Bonds5

About [4-[[1-(2,6-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-(furan-2-yl)methanone

[4-[[1-(2,6-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-(furan-2-yl)methanone (PubChem CID 154793880) has the molecular formula C18H20F2N2O3 and a molecular weight of 350.37 g/mol. Its IUPAC name is [4-[[1-(2,6-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[[1-(2,6-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-(furan-2-yl)methanone
PubChem CID154793880
Molecular FormulaC18H20F2N2O3
Molecular Weight350.37 g/mol
Exact Mass350.14
IUPAC Name[4-[[1-(2,6-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC(NC(CO)c2c(F)cccc2F)CC1
InChIInChI=1S/C18H20F2N2O3/c19-13-3-1-4-14(20)17(13)15(11-23)21-12-6-8-22(9-7-12)18(24)16-5-2-10-25-16/h1-5,10,12,15,21,23H,6-9,11H2
InChIKeyMQAQQZWWHQCJIR-UHFFFAOYSA-N
XLogP2.49
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone
CID 56814831
[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 71896264
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
CID 134000230
1-(3-fluoro-4-pyridinyl)-3-[1-(furan-2-carbonyl)piperidin-4-yl]urea
CID 86791229
N-[1-(furan-2-carbonyl)piperidin-4-yl]-1-phenylmethanesulfonamide
CID 110820123
5-fluoro-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 136514589
2-(4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004654
2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 113083174
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 46656593
furan-2-yl-[4-(1H-indol-4-ylmethylamino)piperidin-1-yl]methanone
CID 119109935
2-amino-N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride
CID 119277094
methyl 4-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-4-oxobutanoate
CID 110820105

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(2,6-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[[1-(2,6-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-(furan-2-yl)methanone (CID 154793880) is [4-[[1-(2,6-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[[1-(2,6-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[[1-(2,6-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCC(NC(CO)c2c(F)cccc2F)CC1.
What is the InChIKey of [4-[[1-(2,6-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is MQAQQZWWHQCJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O3/c19-13-3-1-4-14(20)17(13)15(11-23)21-12-6-8-22(9-7-12)18(24)16-5-2-10-25-16/h1-5,10,12,15,21,23H,6-9,11H2.
What are the key properties of [4-[[1-(2,6-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-(furan-2-yl)methanone?
[4-[[1-(2,6-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 350.37 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(2,6-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 154793880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).