(2R)-3-naphthalen-1-yl-2-(2-oxopiperidin-1-yl)propanal

C18H19NO2 — CID 22860991

IUPAC(2R)-3-naphthalen-1-yl-2-(2-oxopiperidin-1-yl)propanal
SMILESO=C[C@@H](Cc1cccc2ccccc12)N1CCCCC1=O
InChIInChI=1S/C18H19NO2/c20-13-16(19-11-4-3-10-18(19)21)12-15-8-5-7-14-6-1-2-9-17(14)15/h1-2,5-9,13,16H,3-4,10-12H2/t16-/m1/s1
InChIKeyRYSWEQHORNCSGX-MRXNPFEDSA-N
MW281.36 g/mol
LogP2.96
Rot. Bonds4

About (2R)-3-naphthalen-1-yl-2-(2-oxopiperidin-1-yl)propanal

(2R)-3-naphthalen-1-yl-2-(2-oxopiperidin-1-yl)propanal (PubChem CID 22860991) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (2R)-3-naphthalen-1-yl-2-(2-oxopiperidin-1-yl)propanal.

Molecular Properties

Compound Name(2R)-3-naphthalen-1-yl-2-(2-oxopiperidin-1-yl)propanal
PubChem CID22860991
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(2R)-3-naphthalen-1-yl-2-(2-oxopiperidin-1-yl)propanal
SMILESO=C[C@@H](Cc1cccc2ccccc12)N1CCCCC1=O
InChIInChI=1S/C18H19NO2/c20-13-16(19-11-4-3-10-18(19)21)12-15-8-5-7-14-6-1-2-9-17(14)15/h1-2,5-9,13,16H,3-4,10-12H2/t16-/m1/s1
InChIKeyRYSWEQHORNCSGX-MRXNPFEDSA-N
XLogP2.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.96
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-naphthalen-1-yl-2-(2-oxopiperidin-1-yl)propanal?
The IUPAC name of (2R)-3-naphthalen-1-yl-2-(2-oxopiperidin-1-yl)propanal (CID 22860991) is (2R)-3-naphthalen-1-yl-2-(2-oxopiperidin-1-yl)propanal.
What is the SMILES notation for (2R)-3-naphthalen-1-yl-2-(2-oxopiperidin-1-yl)propanal?
The canonical SMILES for (2R)-3-naphthalen-1-yl-2-(2-oxopiperidin-1-yl)propanal is O=C[C@@H](Cc1cccc2ccccc12)N1CCCCC1=O.
What is the InChIKey of (2R)-3-naphthalen-1-yl-2-(2-oxopiperidin-1-yl)propanal?
The InChIKey is RYSWEQHORNCSGX-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19NO2/c20-13-16(19-11-4-3-10-18(19)21)12-15-8-5-7-14-6-1-2-9-17(14)15/h1-2,5-9,13,16H,3-4,10-12H2/t16-/m1/s1.
What are the key properties of (2R)-3-naphthalen-1-yl-2-(2-oxopiperidin-1-yl)propanal?
(2R)-3-naphthalen-1-yl-2-(2-oxopiperidin-1-yl)propanal has a molecular weight of 281.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-naphthalen-1-yl-2-(2-oxopiperidin-1-yl)propanal is sourced from PubChem (CID 22860991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).