4-[5-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde

C16H19N3O3 — CID 22945766

IUPAC4-[5-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde
SMILESCOc1ccc(-c2cn(C3CCN(C=O)CC3)c(=O)[nH]2)cc1
InChIInChI=1S/C16H19N3O3/c1-22-14-4-2-12(3-5-14)15-10-19(16(21)17-15)13-6-8-18(11-20)9-7-13/h2-5,10-11,13H,6-9H2,1H3,(H,17,21)
InChIKeyIZIAQRFFRLNCJC-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.65
Rot. Bonds4

About 4-[5-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde

4-[5-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde (PubChem CID 22945766) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-[5-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-[5-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde
PubChem CID22945766
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name4-[5-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde
SMILESCOc1ccc(-c2cn(C3CCN(C=O)CC3)c(=O)[nH]2)cc1
InChIInChI=1S/C16H19N3O3/c1-22-14-4-2-12(3-5-14)15-10-19(16(21)17-15)13-6-8-18(11-20)9-7-13/h2-5,10-11,13H,6-9H2,1H3,(H,17,21)
InChIKeyIZIAQRFFRLNCJC-UHFFFAOYSA-N
XLogP1.65
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methoxyphenyl)-3-piperidin-4-yl-1H-imidazol-2-one
CID 18321473
5-(4-chlorophenyl)-3-cyclopropyl-1H-imidazol-2-one
CID 68839579
tert-butyl 4-(5-naphthalen-2-yl-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylate
CID 18321429
3-(1-methylpiperidin-1-ium-4-yl)-5-phenyl-1H-imidazol-2-one
CID 143670655
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde
CID 137439420
3-(1-ethylpiperidin-4-yl)-5-(3-hydroxyphenyl)-1H-imidazol-2-one
CID 59767849
3-[1-[4-(4-hydroxy-3,5-dimethylbenzoyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-5-(3-methoxyphenyl)-1H-imidazol-2-one
CID 24961616
[1-(3,4-diamino-5-methylphenyl)-3-oxopropan-2-yl] 4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate
CID 143117210
5-(3-chlorophenyl)-3-(1-iodopiperidin-4-yl)-1H-imidazol-2-one
CID 142061485
5-(4-aminopiperidin-1-yl)-6-(4-methoxyphenyl)-1H-pyrimidin-2-one
CID 117211273
1-(4-amino-3,5-dibromophenyl)-4-[4-(5-naphthalen-2-yl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]butane-1,4-dione
CID 21109757
6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 82518162

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde?
The IUPAC name of 4-[5-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde (CID 22945766) is 4-[5-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde.
What is the SMILES notation for 4-[5-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde?
The canonical SMILES for 4-[5-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde is COc1ccc(-c2cn(C3CCN(C=O)CC3)c(=O)[nH]2)cc1.
What is the InChIKey of 4-[5-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde?
The InChIKey is IZIAQRFFRLNCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-22-14-4-2-12(3-5-14)15-10-19(16(21)17-15)13-6-8-18(11-20)9-7-13/h2-5,10-11,13H,6-9H2,1H3,(H,17,21).
What are the key properties of 4-[5-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde?
4-[5-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde has a molecular weight of 301.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde is sourced from PubChem (CID 22945766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).