1-(1-benzylpiperidin-4-yl)-3-(3-methoxynaphthalen-2-yl)propan-2-one

C26H29NO2 — CID 10524285

IUPAC1-(1-benzylpiperidin-4-yl)-3-(3-methoxynaphthalen-2-yl)propan-2-one
SMILESCOc1cc2ccccc2cc1CC(=O)CC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H29NO2/c1-29-26-18-23-10-6-5-9-22(23)16-24(26)17-25(28)15-20-11-13-27(14-12-20)19-21-7-3-2-4-8-21/h2-10,16,18,20H,11-15,17,19H2,1H3
InChIKeyJHEWFMBHEZGSRS-UHFFFAOYSA-N
MW387.52 g/mol
LogP5.26
Rot. Bonds7

About 1-(1-benzylpiperidin-4-yl)-3-(3-methoxynaphthalen-2-yl)propan-2-one

1-(1-benzylpiperidin-4-yl)-3-(3-methoxynaphthalen-2-yl)propan-2-one (PubChem CID 10524285) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-(3-methoxynaphthalen-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-(3-methoxynaphthalen-2-yl)propan-2-one
PubChem CID10524285
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-(3-methoxynaphthalen-2-yl)propan-2-one
SMILESCOc1cc2ccccc2cc1CC(=O)CC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H29NO2/c1-29-26-18-23-10-6-5-9-22(23)16-24(26)17-25(28)15-20-11-13-27(14-12-20)19-21-7-3-2-4-8-21/h2-10,16,18,20H,11-15,17,19H2,1H3
InChIKeyJHEWFMBHEZGSRS-UHFFFAOYSA-N
XLogP5.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(3-methoxynaphthalen-2-yl)propan-2-one?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(3-methoxynaphthalen-2-yl)propan-2-one (CID 10524285) is 1-(1-benzylpiperidin-4-yl)-3-(3-methoxynaphthalen-2-yl)propan-2-one.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-(3-methoxynaphthalen-2-yl)propan-2-one?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-(3-methoxynaphthalen-2-yl)propan-2-one is COc1cc2ccccc2cc1CC(=O)CC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-(3-methoxynaphthalen-2-yl)propan-2-one?
The InChIKey is JHEWFMBHEZGSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO2/c1-29-26-18-23-10-6-5-9-22(23)16-24(26)17-25(28)15-20-11-13-27(14-12-20)19-21-7-3-2-4-8-21/h2-10,16,18,20H,11-15,17,19H2,1H3.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-(3-methoxynaphthalen-2-yl)propan-2-one?
1-(1-benzylpiperidin-4-yl)-3-(3-methoxynaphthalen-2-yl)propan-2-one has a molecular weight of 387.52 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3-(3-methoxynaphthalen-2-yl)propan-2-one is sourced from PubChem (CID 10524285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).