7-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-1,6-naphthyridine

C22H25N3O — CID 46973379

IUPAC7-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-1,6-naphthyridine
SMILESCOc1ccc(C)cc1CN1CCC(c2cc3ncccc3cn2)CC1
InChIInChI=1S/C22H25N3O/c1-16-5-6-22(26-2)19(12-16)15-25-10-7-17(8-11-25)20-13-21-18(14-24-20)4-3-9-23-21/h3-6,9,12-14,17H,7-8,10-11,15H2,1-2H3
InChIKeyBERZCHNNUWCNKH-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.33
Rot. Bonds4

About 7-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-1,6-naphthyridine

7-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-1,6-naphthyridine (PubChem CID 46973379) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 7-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-1,6-naphthyridine.

Molecular Properties

Compound Name7-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-1,6-naphthyridine
PubChem CID46973379
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name7-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-1,6-naphthyridine
SMILESCOc1ccc(C)cc1CN1CCC(c2cc3ncccc3cn2)CC1
InChIInChI=1S/C22H25N3O/c1-16-5-6-22(26-2)19(12-16)15-25-10-7-17(8-11-25)20-13-21-18(14-24-20)4-3-9-23-21/h3-6,9,12-14,17H,7-8,10-11,15H2,1-2H3
InChIKeyBERZCHNNUWCNKH-UHFFFAOYSA-N
XLogP4.33
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-1,6-naphthyridine?
The IUPAC name of 7-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-1,6-naphthyridine (CID 46973379) is 7-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-1,6-naphthyridine.
What is the SMILES notation for 7-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-1,6-naphthyridine?
The canonical SMILES for 7-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-1,6-naphthyridine is COc1ccc(C)cc1CN1CCC(c2cc3ncccc3cn2)CC1.
What is the InChIKey of 7-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-1,6-naphthyridine?
The InChIKey is BERZCHNNUWCNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-5-6-22(26-2)19(12-16)15-25-10-7-17(8-11-25)20-13-21-18(14-24-20)4-3-9-23-21/h3-6,9,12-14,17H,7-8,10-11,15H2,1-2H3.
What are the key properties of 7-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-1,6-naphthyridine?
7-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-1,6-naphthyridine has a molecular weight of 347.46 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-1,6-naphthyridine is sourced from PubChem (CID 46973379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).