furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone

C16H17NO2 — CID 740547

IUPACfuran-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCC[C@@H](c2ccccc2)C1
InChIInChI=1S/C16H17NO2/c18-16(15-9-5-11-19-15)17-10-4-8-14(12-17)13-6-2-1-3-7-13/h1-3,5-7,9,11,14H,4,8,10,12H2/t14-/m1/s1
InChIKeyLHNXOHICBYMMGK-CQSZACIVSA-N
MW255.32 g/mol
LogP3.30
Rot. Bonds2

About furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone

furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone (PubChem CID 740547) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone
PubChem CID740547
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Namefuran-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCC[C@@H](c2ccccc2)C1
InChIInChI=1S/C16H17NO2/c18-16(15-9-5-11-19-15)17-10-4-8-14(12-17)13-6-2-1-3-7-13/h1-3,5-7,9,11,14H,4,8,10,12H2/t14-/m1/s1
InChIKeyLHNXOHICBYMMGK-CQSZACIVSA-N
XLogP3.30
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

furan-2-yl-(3-phenylazepan-1-yl)methanone
CID 90608497
[3-(3-bromophenyl)piperidin-1-yl]-(furan-2-yl)methanone
CID 84609797
(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
CID 63392823
furan-2-yl-(3-phenoxypiperidin-1-yl)methanone
CID 110605371
[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 99855360
furan-2-yl-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110410357
[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(furan-2-yl)methanone
CID 132652159
furan-2-yl-[3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone
CID 45207969
furan-2-yl-[(3S)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone
CID 42501418
1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568035
(3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917226
N-[1-(furan-2-carbonyl)piperidin-3-yl]azepane-1-sulfonamide
CID 131927041

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone (CID 740547) is furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone is O=C(c1ccco1)N1CCC[C@@H](c2ccccc2)C1.
What is the InChIKey of furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone?
The InChIKey is LHNXOHICBYMMGK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17NO2/c18-16(15-9-5-11-19-15)17-10-4-8-14(12-17)13-6-2-1-3-7-13/h1-3,5-7,9,11,14H,4,8,10,12H2/t14-/m1/s1.
What are the key properties of furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone?
furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone has a molecular weight of 255.32 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone is sourced from PubChem (CID 740547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).