3-(3-propanoylphenyl)piperidine-1-carbaldehyde

C15H19NO2 — CID 176580605

IUPAC3-(3-propanoylphenyl)piperidine-1-carbaldehyde
SMILESCCC(=O)c1cccc(C2CCCN(C=O)C2)c1
InChIInChI=1S/C15H19NO2/c1-2-15(18)13-6-3-5-12(9-13)14-7-4-8-16(10-14)11-17/h3,5-6,9,11,14H,2,4,7-8,10H2,1H3
InChIKeySBSMJQRZXCBQSK-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.62
Rot. Bonds4

About 3-(3-propanoylphenyl)piperidine-1-carbaldehyde

3-(3-propanoylphenyl)piperidine-1-carbaldehyde (PubChem CID 176580605) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-(3-propanoylphenyl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name3-(3-propanoylphenyl)piperidine-1-carbaldehyde
PubChem CID176580605
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-(3-propanoylphenyl)piperidine-1-carbaldehyde
SMILESCCC(=O)c1cccc(C2CCCN(C=O)C2)c1
InChIInChI=1S/C15H19NO2/c1-2-15(18)13-6-3-5-12(9-13)14-7-4-8-16(10-14)11-17/h3,5-6,9,11,14H,2,4,7-8,10H2,1H3
InChIKeySBSMJQRZXCBQSK-UHFFFAOYSA-N
XLogP2.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.62
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

methyl 3-[(3S)-1-ethylpiperidin-3-yl]benzoate
CID 22856993
3-[(3S)-1-methylpiperidin-3-yl]benzamide
CID 22856989
3-[(3R)-1-[ethyl(methyl)sulfamoyl]piperidin-3-yl]benzoic acid
CID 97195906
N-ethyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
CID 50788858
2-amino-1-(3-cyclohexylphenyl)ethanone
CID 83836181
(3R)-3-[3-(dimethylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 92890984
3-[3-(dimethylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 50788867
3-[3-(azepane-1-carbonyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 46334239
3-[(3S)-1-(2-oxo-2-pyrrolidin-1-ylacetyl)piperidin-3-yl]benzoic acid
CID 97210347
3-[(3R)-1-methylsulfonylpiperidin-3-yl]benzoic acid
CID 97208003
(3S)-3-phenylpyrrolidine-1-carbaldehyde
CID 175059746
(3S)-3-[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92891172

Frequently Asked Questions

What is the IUPAC name of 3-(3-propanoylphenyl)piperidine-1-carbaldehyde?
The IUPAC name of 3-(3-propanoylphenyl)piperidine-1-carbaldehyde (CID 176580605) is 3-(3-propanoylphenyl)piperidine-1-carbaldehyde.
What is the SMILES notation for 3-(3-propanoylphenyl)piperidine-1-carbaldehyde?
The canonical SMILES for 3-(3-propanoylphenyl)piperidine-1-carbaldehyde is CCC(=O)c1cccc(C2CCCN(C=O)C2)c1.
What is the InChIKey of 3-(3-propanoylphenyl)piperidine-1-carbaldehyde?
The InChIKey is SBSMJQRZXCBQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-15(18)13-6-3-5-12(9-13)14-7-4-8-16(10-14)11-17/h3,5-6,9,11,14H,2,4,7-8,10H2,1H3.
What are the key properties of 3-(3-propanoylphenyl)piperidine-1-carbaldehyde?
3-(3-propanoylphenyl)piperidine-1-carbaldehyde has a molecular weight of 245.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propanoylphenyl)piperidine-1-carbaldehyde is sourced from PubChem (CID 176580605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).