(4-methoxypiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone

C25H34N2O3 — CID 45269440

IUPAC(4-methoxypiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone
SMILESCOC1CCN(C(=O)c2ccc3cc(OC4CCN(C(C)C)CC4)ccc3c2)CC1
InChIInChI=1S/C25H34N2O3/c1-18(2)26-12-10-23(11-13-26)30-24-7-6-19-16-21(5-4-20(19)17-24)25(28)27-14-8-22(29-3)9-15-27/h4-7,16-18,22-23H,8-15H2,1-3H3
InChIKeyZOGJGKBMLNMOAM-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.34
Rot. Bonds5

About (4-methoxypiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone

(4-methoxypiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone (PubChem CID 45269440) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is (4-methoxypiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone.

Molecular Properties

Compound Name(4-methoxypiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone
PubChem CID45269440
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name(4-methoxypiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone
SMILESCOC1CCN(C(=O)c2ccc3cc(OC4CCN(C(C)C)CC4)ccc3c2)CC1
InChIInChI=1S/C25H34N2O3/c1-18(2)26-12-10-23(11-13-26)30-24-7-6-19-16-21(5-4-20(19)17-24)25(28)27-14-8-22(29-3)9-15-27/h4-7,16-18,22-23H,8-15H2,1-3H3
InChIKeyZOGJGKBMLNMOAM-UHFFFAOYSA-N
XLogP4.34
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxypiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone?
The IUPAC name of (4-methoxypiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone (CID 45269440) is (4-methoxypiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone.
What is the SMILES notation for (4-methoxypiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone?
The canonical SMILES for (4-methoxypiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone is COC1CCN(C(=O)c2ccc3cc(OC4CCN(C(C)C)CC4)ccc3c2)CC1.
What is the InChIKey of (4-methoxypiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone?
The InChIKey is ZOGJGKBMLNMOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-18(2)26-12-10-23(11-13-26)30-24-7-6-19-16-21(5-4-20(19)17-24)25(28)27-14-8-22(29-3)9-15-27/h4-7,16-18,22-23H,8-15H2,1-3H3.
What are the key properties of (4-methoxypiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone?
(4-methoxypiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone has a molecular weight of 410.56 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone is sourced from PubChem (CID 45269440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).