(3-methoxynaphthalen-2-yl)-piperidin-1-ylmethanone

C17H19NO2 — CID 2711799

IUPAC(3-methoxynaphthalen-2-yl)-piperidin-1-ylmethanone
SMILESCOc1cc2ccccc2cc1C(=O)N1CCCCC1
InChIInChI=1S/C17H19NO2/c1-20-16-12-14-8-4-3-7-13(14)11-15(16)17(19)18-9-5-2-6-10-18/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3
InChIKeyOBSOTLOEYZRUPA-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.47
Rot. Bonds2

About (3-methoxynaphthalen-2-yl)-piperidin-1-ylmethanone

(3-methoxynaphthalen-2-yl)-piperidin-1-ylmethanone (PubChem CID 2711799) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (3-methoxynaphthalen-2-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3-methoxynaphthalen-2-yl)-piperidin-1-ylmethanone
PubChem CID2711799
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(3-methoxynaphthalen-2-yl)-piperidin-1-ylmethanone
SMILESCOc1cc2ccccc2cc1C(=O)N1CCCCC1
InChIInChI=1S/C17H19NO2/c1-20-16-12-14-8-4-3-7-13(14)11-15(16)17(19)18-9-5-2-6-10-18/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3
InChIKeyOBSOTLOEYZRUPA-UHFFFAOYSA-N
XLogP3.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methoxynaphthalen-2-yl)-piperidin-1-ylmethanone?
The IUPAC name of (3-methoxynaphthalen-2-yl)-piperidin-1-ylmethanone (CID 2711799) is (3-methoxynaphthalen-2-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3-methoxynaphthalen-2-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (3-methoxynaphthalen-2-yl)-piperidin-1-ylmethanone is COc1cc2ccccc2cc1C(=O)N1CCCCC1.
What is the InChIKey of (3-methoxynaphthalen-2-yl)-piperidin-1-ylmethanone?
The InChIKey is OBSOTLOEYZRUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-20-16-12-14-8-4-3-7-13(14)11-15(16)17(19)18-9-5-2-6-10-18/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3.
What are the key properties of (3-methoxynaphthalen-2-yl)-piperidin-1-ylmethanone?
(3-methoxynaphthalen-2-yl)-piperidin-1-ylmethanone has a molecular weight of 269.34 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxynaphthalen-2-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 2711799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).