(4-benzylidenepiperidin-1-yl)-(oxolan-2-yl)methanone

C17H21NO2 — CID 71977470

IUPAC(4-benzylidenepiperidin-1-yl)-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C17H21NO2/c19-17(16-7-4-12-20-16)18-10-8-15(9-11-18)13-14-5-2-1-3-6-14/h1-3,5-6,13,16H,4,7-12H2
InChIKeyJQFZQMHCOQXJJW-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.87
Rot. Bonds2

About (4-benzylidenepiperidin-1-yl)-(oxolan-2-yl)methanone

(4-benzylidenepiperidin-1-yl)-(oxolan-2-yl)methanone (PubChem CID 71977470) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (4-benzylidenepiperidin-1-yl)-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name(4-benzylidenepiperidin-1-yl)-(oxolan-2-yl)methanone
PubChem CID71977470
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(4-benzylidenepiperidin-1-yl)-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C17H21NO2/c19-17(16-7-4-12-20-16)18-10-8-15(9-11-18)13-14-5-2-1-3-6-14/h1-3,5-6,13,16H,4,7-12H2
InChIKeyJQFZQMHCOQXJJW-UHFFFAOYSA-N
XLogP2.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
CID 4782471
oxolan-2-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 110871538
[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 125177029
(E)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3-phenylprop-2-enamide
CID 108566021
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 110797536
(4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 40606305
2-[(2R)-oxolane-2-carbonyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104855979
(4-benzhydrylpiperazin-4-ium-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 7762308
[4-(2-benzoylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51183590
[(2S)-oxolan-2-yl]-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 7831176
[(2S)-oxolan-2-yl]-(4-phenyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)methanone
CID 124788089
1,4-dioxan-2-yl-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]methanone
CID 56816043

Frequently Asked Questions

What is the IUPAC name of (4-benzylidenepiperidin-1-yl)-(oxolan-2-yl)methanone?
The IUPAC name of (4-benzylidenepiperidin-1-yl)-(oxolan-2-yl)methanone (CID 71977470) is (4-benzylidenepiperidin-1-yl)-(oxolan-2-yl)methanone.
What is the SMILES notation for (4-benzylidenepiperidin-1-yl)-(oxolan-2-yl)methanone?
The canonical SMILES for (4-benzylidenepiperidin-1-yl)-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCC(=Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylidenepiperidin-1-yl)-(oxolan-2-yl)methanone?
The InChIKey is JQFZQMHCOQXJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-17(16-7-4-12-20-16)18-10-8-15(9-11-18)13-14-5-2-1-3-6-14/h1-3,5-6,13,16H,4,7-12H2.
What are the key properties of (4-benzylidenepiperidin-1-yl)-(oxolan-2-yl)methanone?
(4-benzylidenepiperidin-1-yl)-(oxolan-2-yl)methanone has a molecular weight of 271.36 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylidenepiperidin-1-yl)-(oxolan-2-yl)methanone is sourced from PubChem (CID 71977470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).