[3-(furan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone

C17H19NO2 — CID 168524923

IUPAC[3-(furan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cccc(-c3ccco3)c2)CC1
InChIInChI=1S/C17H19NO2/c1-13-7-9-18(10-8-13)17(19)15-5-2-4-14(12-15)16-6-3-11-20-16/h2-6,11-13H,7-10H2,1H3
InChIKeyFCVRXOISQKVOGT-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.82
Rot. Bonds2

About [3-(furan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone

[3-(furan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 168524923) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is [3-(furan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(furan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID168524923
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name[3-(furan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cccc(-c3ccco3)c2)CC1
InChIInChI=1S/C17H19NO2/c1-13-7-9-18(10-8-13)17(19)15-5-2-4-14(12-15)16-6-3-11-20-16/h2-6,11-13H,7-10H2,1H3
InChIKeyFCVRXOISQKVOGT-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[3-(4-methylpiperidine-1-carbonyl)phenyl]furan-2-carbaldehyde
CID 169332252
[3-(furan-2-yl)phenyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70755983
4-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 126484492
(4-methylpiperidin-1-yl)-(3-nitrophenyl)methanone
CID 711512
[3-(2-bromophenyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 170459987
(3-aminophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16778020
2-fluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide
CID 175751261
[3-(furan-2-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
CID 77089548
3-(4-methylpiperidine-1-carbonyl)benzenecarbothioamide
CID 24698917
1-[4-[[(2R,6S)-4-[3-(furan-2-yl)benzoyl]-2,6-dimethylpiperazin-1-yl]methyl]phenyl]-2-hydroxyethanone
CID 148726594
N-cyclopropyl-3-(furan-2-yl)benzamide
CID 168525147
[3-(4-ethylpiperazine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 109052272

Frequently Asked Questions

What is the IUPAC name of [3-(furan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-(furan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone (CID 168524923) is [3-(furan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(furan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(furan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cccc(-c3ccco3)c2)CC1.
What is the InChIKey of [3-(furan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is FCVRXOISQKVOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13-7-9-18(10-8-13)17(19)15-5-2-4-14(12-15)16-6-3-11-20-16/h2-6,11-13H,7-10H2,1H3.
What are the key properties of [3-(furan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone?
[3-(furan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 269.34 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 168524923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).