1-(3-phenylpropanoyl)piperidine-3-carbaldehyde

C15H19NO2 — CID 82023420

IUPAC1-(3-phenylpropanoyl)piperidine-3-carbaldehyde
SMILESO=CC1CCCN(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C15H19NO2/c17-12-14-7-4-10-16(11-14)15(18)9-8-13-5-2-1-3-6-13/h1-3,5-6,12,14H,4,7-11H2
InChIKeySPOWDUQTCWCLEZ-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.06
Rot. Bonds4

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

1-(3-phenylpropanoyl)piperidine-3-carbaldehyde (PubChem CID 82023420) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(3-phenylpropanoyl)piperidine-3-carbaldehyde.

Molecular Properties

Compound Name1-(3-phenylpropanoyl)piperidine-3-carbaldehyde
PubChem CID82023420
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-(3-phenylpropanoyl)piperidine-3-carbaldehyde
SMILESO=CC1CCCN(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C15H19NO2/c17-12-14-7-4-10-16(11-14)15(18)9-8-13-5-2-1-3-6-13/h1-3,5-6,12,14H,4,7-11H2
InChIKeySPOWDUQTCWCLEZ-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
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

1-[3-(phenoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110638413
3-phenyl-1-(3-phenylazepan-1-yl)propan-1-one
CID 90608490
3-phenyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241645
(3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide
CID 154967020
(3S)-1-(3-phenylpropanoyl)-N-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]piperidine-3-carboxamide
CID 102220745
1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
CID 43119516
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-1-one
CID 103900621
1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109
1-[3-(4-fluoroanilino)piperidin-1-yl]-3-phenylpropan-1-one
CID 24791061
3-phenyl-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 124971365
3-phenyl-1-[(3S)-3-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]propan-1-one
CID 95097651
1-[3-(2-ethoxyethoxy)piperidin-1-yl]-3-phenylpropan-1-one
CID 46028730

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropanoyl)piperidine-3-carbaldehyde?
The IUPAC name of 1-(3-phenylpropanoyl)piperidine-3-carbaldehyde (CID 82023420) is 1-(3-phenylpropanoyl)piperidine-3-carbaldehyde.
What is the SMILES notation for 1-(3-phenylpropanoyl)piperidine-3-carbaldehyde?
The canonical SMILES for 1-(3-phenylpropanoyl)piperidine-3-carbaldehyde is O=CC1CCCN(C(=O)CCc2ccccc2)C1.
What is the InChIKey of 1-(3-phenylpropanoyl)piperidine-3-carbaldehyde?
The InChIKey is SPOWDUQTCWCLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-12-14-7-4-10-16(11-14)15(18)9-8-13-5-2-1-3-6-13/h1-3,5-6,12,14H,4,7-11H2.
What are the key properties of 1-(3-phenylpropanoyl)piperidine-3-carbaldehyde?
1-(3-phenylpropanoyl)piperidine-3-carbaldehyde has a molecular weight of 245.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropanoyl)piperidine-3-carbaldehyde is sourced from PubChem (CID 82023420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).