2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzaldehyde

C16H19NO3 — CID 167146390

IUPAC2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzaldehyde
SMILESO=Cc1ccccc1OC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H19NO3/c18-11-13-3-1-2-4-15(13)20-14-7-9-17(10-8-14)16(19)12-5-6-12/h1-4,11-12,14H,5-10H2
InChIKeyDGRSZLFKTBJLNT-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.28
Rot. Bonds4

About 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzaldehyde

2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzaldehyde (PubChem CID 167146390) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzaldehyde.

Molecular Properties

Compound Name2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzaldehyde
PubChem CID167146390
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzaldehyde
SMILESO=Cc1ccccc1OC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H19NO3/c18-11-13-3-1-2-4-15(13)20-14-7-9-17(10-8-14)16(19)12-5-6-12/h1-4,11-12,14H,5-10H2
InChIKeyDGRSZLFKTBJLNT-UHFFFAOYSA-N
XLogP2.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-benzoylpiperidin-4-yl)-[4-(2-chlorophenoxy)piperidin-1-yl]methanone
CID 91800796
[4-(2-chlorophenoxy)piperidin-1-yl]-(oxiran-2-yl)methanone
CID 154879916
2-[4-[2-(hydroxyiminomethyl)phenoxy]piperidin-1-yl]-2-oxoacetamide
CID 87416022
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
4-(2-formylphenoxy)-3-(trifluoromethyl)piperidine-1-carboxylic acid
CID 174806304
(4R)-4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
CID 97112468
[4-(1H-indol-4-yloxy)piperidin-1-yl]-(oxan-4-yl)methanone
CID 126951435
2-(2-hydroxycyclopentyl)oxybenzaldehyde
CID 60886689
2-[2-(4-benzoylpiperidin-1-yl)-2-oxoethoxy]benzaldehyde
CID 134037856
[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone
CID 71799453
2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoacetamide
CID 66875568
[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-(oxan-4-yl)methanone
CID 126951816

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzaldehyde?
The IUPAC name of 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzaldehyde (CID 167146390) is 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzaldehyde.
What is the SMILES notation for 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzaldehyde?
The canonical SMILES for 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzaldehyde is O=Cc1ccccc1OC1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzaldehyde?
The InChIKey is DGRSZLFKTBJLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-11-13-3-1-2-4-15(13)20-14-7-9-17(10-8-14)16(19)12-5-6-12/h1-4,11-12,14H,5-10H2.
What are the key properties of 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzaldehyde?
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzaldehyde has a molecular weight of 273.33 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzaldehyde is sourced from PubChem (CID 167146390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).