5-[3-(4-methylpiperidine-1-carbonyl)phenyl]furan-2-carbaldehyde

C18H19NO3 — CID 169332252

IUPAC5-[3-(4-methylpiperidine-1-carbonyl)phenyl]furan-2-carbaldehyde
SMILESCC1CCN(C(=O)c2cccc(-c3ccc(C=O)o3)c2)CC1
InChIInChI=1S/C18H19NO3/c1-13-7-9-19(10-8-13)18(21)15-4-2-3-14(11-15)17-6-5-16(12-20)22-17/h2-6,11-13H,7-10H2,1H3
InChIKeyVFNHLLXHUZNZOK-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.63
Rot. Bonds3

About 5-[3-(4-methylpiperidine-1-carbonyl)phenyl]furan-2-carbaldehyde

5-[3-(4-methylpiperidine-1-carbonyl)phenyl]furan-2-carbaldehyde (PubChem CID 169332252) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 5-[3-(4-methylpiperidine-1-carbonyl)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[3-(4-methylpiperidine-1-carbonyl)phenyl]furan-2-carbaldehyde
PubChem CID169332252
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name5-[3-(4-methylpiperidine-1-carbonyl)phenyl]furan-2-carbaldehyde
SMILESCC1CCN(C(=O)c2cccc(-c3ccc(C=O)o3)c2)CC1
InChIInChI=1S/C18H19NO3/c1-13-7-9-19(10-8-13)18(21)15-4-2-3-14(11-15)17-6-5-16(12-20)22-17/h2-6,11-13H,7-10H2,1H3
InChIKeyVFNHLLXHUZNZOK-UHFFFAOYSA-N
XLogP3.63
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[3-(furan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 168524923
4-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 126484492
[3-(2-bromophenyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 170459987
3-[4-(5-formylfuran-2-yl)phenyl]benzoic acid
CID 169334403
(3-aminophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16778020
(4-methylpiperidin-1-yl)-(3-nitrophenyl)methanone
CID 711512
3-(4-methylpiperidine-1-carbonyl)benzenecarbothioamide
CID 24698917
[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 50850755
(3-ethynylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 170459136
(4-methylazepan-1-yl)-(3-methylphenyl)methanone
CID 84581250
[3-(4-ethylpiperazine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 109052272
(5E)-5-[[5-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]furan-2-yl]methylidene]imidazolidine-2,4-dione
CID 59635525

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-methylpiperidine-1-carbonyl)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[3-(4-methylpiperidine-1-carbonyl)phenyl]furan-2-carbaldehyde (CID 169332252) is 5-[3-(4-methylpiperidine-1-carbonyl)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[3-(4-methylpiperidine-1-carbonyl)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[3-(4-methylpiperidine-1-carbonyl)phenyl]furan-2-carbaldehyde is CC1CCN(C(=O)c2cccc(-c3ccc(C=O)o3)c2)CC1.
What is the InChIKey of 5-[3-(4-methylpiperidine-1-carbonyl)phenyl]furan-2-carbaldehyde?
The InChIKey is VFNHLLXHUZNZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13-7-9-19(10-8-13)18(21)15-4-2-3-14(11-15)17-6-5-16(12-20)22-17/h2-6,11-13H,7-10H2,1H3.
What are the key properties of 5-[3-(4-methylpiperidine-1-carbonyl)phenyl]furan-2-carbaldehyde?
5-[3-(4-methylpiperidine-1-carbonyl)phenyl]furan-2-carbaldehyde has a molecular weight of 297.35 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methylpiperidine-1-carbonyl)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169332252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).