[2-(furan-2-yl)phenyl]-(2-methylpiperidin-1-yl)methanone

C17H19NO2 — CID 168525088

IUPAC[2-(furan-2-yl)phenyl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccccc1-c1ccco1
InChIInChI=1S/C17H19NO2/c1-13-7-4-5-11-18(13)17(19)15-9-3-2-8-14(15)16-10-6-12-20-16/h2-3,6,8-10,12-13H,4-5,7,11H2,1H3
InChIKeyZRVMRMXATZKSSZ-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.96
Rot. Bonds2

About [2-(furan-2-yl)phenyl]-(2-methylpiperidin-1-yl)methanone

[2-(furan-2-yl)phenyl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 168525088) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is [2-(furan-2-yl)phenyl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(furan-2-yl)phenyl]-(2-methylpiperidin-1-yl)methanone
PubChem CID168525088
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name[2-(furan-2-yl)phenyl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccccc1-c1ccco1
InChIInChI=1S/C17H19NO2/c1-13-7-4-5-11-18(13)17(19)15-9-3-2-8-14(15)16-10-6-12-20-16/h2-3,6,8-10,12-13H,4-5,7,11H2,1H3
InChIKeyZRVMRMXATZKSSZ-UHFFFAOYSA-N
XLogP3.96
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
[5-(furan-2-yl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone
CID 71690133
N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 849804
[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone
CID 51854336
[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(2-methylpiperidin-1-yl)methanone
CID 22515295
[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 51291906
[(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone
CID 13185578
(4-methylphenyl)-[2-(2-methylpiperidine-1-carbonyl)phenyl]methanone
CID 112811380
ethyl 1-[2-(furan-2-yl)benzoyl]piperidine-4-carboxylate
CID 168527063
8-(2-methylpiperidine-1-carbonyl)naphthalene-1-carboxylic acid
CID 16772270
(3-amino-2-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40788930
(2-fluoro-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 107362731

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)phenyl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(furan-2-yl)phenyl]-(2-methylpiperidin-1-yl)methanone (CID 168525088) is [2-(furan-2-yl)phenyl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(furan-2-yl)phenyl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(furan-2-yl)phenyl]-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1ccccc1-c1ccco1.
What is the InChIKey of [2-(furan-2-yl)phenyl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is ZRVMRMXATZKSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13-7-4-5-11-18(13)17(19)15-9-3-2-8-14(15)16-10-6-12-20-16/h2-3,6,8-10,12-13H,4-5,7,11H2,1H3.
What are the key properties of [2-(furan-2-yl)phenyl]-(2-methylpiperidin-1-yl)methanone?
[2-(furan-2-yl)phenyl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 269.34 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)phenyl]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 168525088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).