(2R)-3-(4-chlorophenyl)-2-(2-oxopiperidin-1-yl)propanal

C14H16ClNO2 — CID 22860992

IUPAC(2R)-3-(4-chlorophenyl)-2-(2-oxopiperidin-1-yl)propanal
SMILESO=C[C@@H](Cc1ccc(Cl)cc1)N1CCCCC1=O
InChIInChI=1S/C14H16ClNO2/c15-12-6-4-11(5-7-12)9-13(10-17)16-8-2-1-3-14(16)18/h4-7,10,13H,1-3,8-9H2/t13-/m1/s1
InChIKeyITTCVSPTYICPPJ-CYBMUJFWSA-N
MW265.74 g/mol
LogP2.46
Rot. Bonds4

About (2R)-3-(4-chlorophenyl)-2-(2-oxopiperidin-1-yl)propanal

(2R)-3-(4-chlorophenyl)-2-(2-oxopiperidin-1-yl)propanal (PubChem CID 22860992) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is (2R)-3-(4-chlorophenyl)-2-(2-oxopiperidin-1-yl)propanal.

Molecular Properties

Compound Name(2R)-3-(4-chlorophenyl)-2-(2-oxopiperidin-1-yl)propanal
PubChem CID22860992
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name(2R)-3-(4-chlorophenyl)-2-(2-oxopiperidin-1-yl)propanal
SMILESO=C[C@@H](Cc1ccc(Cl)cc1)N1CCCCC1=O
InChIInChI=1S/C14H16ClNO2/c15-12-6-4-11(5-7-12)9-13(10-17)16-8-2-1-3-14(16)18/h4-7,10,13H,1-3,8-9H2/t13-/m1/s1
InChIKeyITTCVSPTYICPPJ-CYBMUJFWSA-N
XLogP2.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-chlorophenyl)-2-(2-oxopiperidin-1-yl)propanal?
The IUPAC name of (2R)-3-(4-chlorophenyl)-2-(2-oxopiperidin-1-yl)propanal (CID 22860992) is (2R)-3-(4-chlorophenyl)-2-(2-oxopiperidin-1-yl)propanal.
What is the SMILES notation for (2R)-3-(4-chlorophenyl)-2-(2-oxopiperidin-1-yl)propanal?
The canonical SMILES for (2R)-3-(4-chlorophenyl)-2-(2-oxopiperidin-1-yl)propanal is O=C[C@@H](Cc1ccc(Cl)cc1)N1CCCCC1=O.
What is the InChIKey of (2R)-3-(4-chlorophenyl)-2-(2-oxopiperidin-1-yl)propanal?
The InChIKey is ITTCVSPTYICPPJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H16ClNO2/c15-12-6-4-11(5-7-12)9-13(10-17)16-8-2-1-3-14(16)18/h4-7,10,13H,1-3,8-9H2/t13-/m1/s1.
What are the key properties of (2R)-3-(4-chlorophenyl)-2-(2-oxopiperidin-1-yl)propanal?
(2R)-3-(4-chlorophenyl)-2-(2-oxopiperidin-1-yl)propanal has a molecular weight of 265.74 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-chlorophenyl)-2-(2-oxopiperidin-1-yl)propanal is sourced from PubChem (CID 22860992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).