1-(cyclopropanecarbonyl)piperidine-3-carbaldehyde

C10H15NO2 — CID 55268668

IUPAC1-(cyclopropanecarbonyl)piperidine-3-carbaldehyde
SMILESO=CC1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C10H15NO2/c12-7-8-2-1-5-11(6-8)10(13)9-3-4-9/h7-9H,1-6H2
InChIKeyAILBMIDEFANENC-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.83
Rot. Bonds2

About 1-(cyclopropanecarbonyl)piperidine-3-carbaldehyde

1-(cyclopropanecarbonyl)piperidine-3-carbaldehyde (PubChem CID 55268668) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)piperidine-3-carbaldehyde.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)piperidine-3-carbaldehyde
PubChem CID55268668
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1-(cyclopropanecarbonyl)piperidine-3-carbaldehyde
SMILESO=CC1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C10H15NO2/c12-7-8-2-1-5-11(6-8)10(13)9-3-4-9/h7-9H,1-6H2
InChIKeyAILBMIDEFANENC-UHFFFAOYSA-N
XLogP0.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-formylpiperidin-1-yl)-2-oxoacetamide
CID 87723708
1-(cyclohexanecarbonyl)piperidine-4-carbaldehyde
CID 18352871
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl(cyclopropyl)methanone
CID 49224332
cyclopropyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475773
cyclopropyl-[3-(3-hydroxypiperidine-1-carbonyl)piperidin-1-yl]methanone
CID 43502686
1-[1-(azepan-1-yl)-1-oxopropan-2-yl]piperidine-3-carbaldehyde
CID 62654386
cyclopentyl-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93040537
cyclopropyl-[(3R)-3-ethylpiperidin-1-yl]methanone
CID 176933785
cyclopropyl-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63090748
[4,8-bis(cyclohexanecarbonyl)-1,4,8,11-tetrazacyclotetradec-1-yl]-cyclohexylmethanone;cycloheptanecarbaldehyde
CID 142113322
(3-aminopiperidin-1-yl)-(4-hydroxycyclohexyl)methanone
CID 112531005

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)piperidine-3-carbaldehyde?
The IUPAC name of 1-(cyclopropanecarbonyl)piperidine-3-carbaldehyde (CID 55268668) is 1-(cyclopropanecarbonyl)piperidine-3-carbaldehyde.
What is the SMILES notation for 1-(cyclopropanecarbonyl)piperidine-3-carbaldehyde?
The canonical SMILES for 1-(cyclopropanecarbonyl)piperidine-3-carbaldehyde is O=CC1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of 1-(cyclopropanecarbonyl)piperidine-3-carbaldehyde?
The InChIKey is AILBMIDEFANENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c12-7-8-2-1-5-11(6-8)10(13)9-3-4-9/h7-9H,1-6H2.
What are the key properties of 1-(cyclopropanecarbonyl)piperidine-3-carbaldehyde?
1-(cyclopropanecarbonyl)piperidine-3-carbaldehyde has a molecular weight of 181.23 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)piperidine-3-carbaldehyde is sourced from PubChem (CID 55268668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).