(6-methoxynaphthalen-2-yl)-[1-(pyridine-3-carbonyl)piperidin-3-yl]methanone

C23H22N2O3 — CID 24791694

IUPAC(6-methoxynaphthalen-2-yl)-[1-(pyridine-3-carbonyl)piperidin-3-yl]methanone
SMILESCOc1ccc2cc(C(=O)C3CCCN(C(=O)c4cccnc4)C3)ccc2c1
InChIInChI=1S/C23H22N2O3/c1-28-21-9-8-16-12-18(7-6-17(16)13-21)22(26)20-5-3-11-25(15-20)23(27)19-4-2-10-24-14-19/h2,4,6-10,12-14,20H,3,5,11,15H2,1H3
InChIKeyIRPHJMUSIJTARJ-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.98
Rot. Bonds4

About (6-methoxynaphthalen-2-yl)-[1-(pyridine-3-carbonyl)piperidin-3-yl]methanone

(6-methoxynaphthalen-2-yl)-[1-(pyridine-3-carbonyl)piperidin-3-yl]methanone (PubChem CID 24791694) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is (6-methoxynaphthalen-2-yl)-[1-(pyridine-3-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(6-methoxynaphthalen-2-yl)-[1-(pyridine-3-carbonyl)piperidin-3-yl]methanone
PubChem CID24791694
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name(6-methoxynaphthalen-2-yl)-[1-(pyridine-3-carbonyl)piperidin-3-yl]methanone
SMILESCOc1ccc2cc(C(=O)C3CCCN(C(=O)c4cccnc4)C3)ccc2c1
InChIInChI=1S/C23H22N2O3/c1-28-21-9-8-16-12-18(7-6-17(16)13-21)22(26)20-5-3-11-25(15-20)23(27)19-4-2-10-24-14-19/h2,4,6-10,12-14,20H,3,5,11,15H2,1H3
InChIKeyIRPHJMUSIJTARJ-UHFFFAOYSA-N
XLogP3.98
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-methoxynaphthalen-2-yl)-[1-(pyridine-3-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of (6-methoxynaphthalen-2-yl)-[1-(pyridine-3-carbonyl)piperidin-3-yl]methanone (CID 24791694) is (6-methoxynaphthalen-2-yl)-[1-(pyridine-3-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for (6-methoxynaphthalen-2-yl)-[1-(pyridine-3-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for (6-methoxynaphthalen-2-yl)-[1-(pyridine-3-carbonyl)piperidin-3-yl]methanone is COc1ccc2cc(C(=O)C3CCCN(C(=O)c4cccnc4)C3)ccc2c1.
What is the InChIKey of (6-methoxynaphthalen-2-yl)-[1-(pyridine-3-carbonyl)piperidin-3-yl]methanone?
The InChIKey is IRPHJMUSIJTARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-28-21-9-8-16-12-18(7-6-17(16)13-21)22(26)20-5-3-11-25(15-20)23(27)19-4-2-10-24-14-19/h2,4,6-10,12-14,20H,3,5,11,15H2,1H3.
What are the key properties of (6-methoxynaphthalen-2-yl)-[1-(pyridine-3-carbonyl)piperidin-3-yl]methanone?
(6-methoxynaphthalen-2-yl)-[1-(pyridine-3-carbonyl)piperidin-3-yl]methanone has a molecular weight of 374.44 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxynaphthalen-2-yl)-[1-(pyridine-3-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 24791694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).