4-(4-methoxyphenyl)-7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydro-2,6-naphthyridine

C24H33N3O2 — CID 15981911

IUPAC4-(4-methoxyphenyl)-7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydro-2,6-naphthyridine
SMILESCOc1ccc(C2CNCc3cc(OCC4CCN(C(C)C)CC4)ncc32)cc1
InChIInChI=1S/C24H33N3O2/c1-17(2)27-10-8-18(9-11-27)16-29-24-12-20-13-25-14-22(23(20)15-26-24)19-4-6-21(28-3)7-5-19/h4-7,12,15,17-18,22,25H,8-11,13-14,16H2,1-3H3
InChIKeyCKIBSEDGQQBNJP-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.82
Rot. Bonds6

About 4-(4-methoxyphenyl)-7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydro-2,6-naphthyridine

4-(4-methoxyphenyl)-7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydro-2,6-naphthyridine (PubChem CID 15981911) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydro-2,6-naphthyridine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydro-2,6-naphthyridine
PubChem CID15981911
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name4-(4-methoxyphenyl)-7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydro-2,6-naphthyridine
SMILESCOc1ccc(C2CNCc3cc(OCC4CCN(C(C)C)CC4)ncc32)cc1
InChIInChI=1S/C24H33N3O2/c1-17(2)27-10-8-18(9-11-27)16-29-24-12-20-13-25-14-22(23(20)15-26-24)19-4-6-21(28-3)7-5-19/h4-7,12,15,17-18,22,25H,8-11,13-14,16H2,1-3H3
InChIKeyCKIBSEDGQQBNJP-UHFFFAOYSA-N
XLogP3.82
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydro-2,6-naphthyridine?
The IUPAC name of 4-(4-methoxyphenyl)-7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydro-2,6-naphthyridine (CID 15981911) is 4-(4-methoxyphenyl)-7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydro-2,6-naphthyridine.
What is the SMILES notation for 4-(4-methoxyphenyl)-7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydro-2,6-naphthyridine?
The canonical SMILES for 4-(4-methoxyphenyl)-7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydro-2,6-naphthyridine is COc1ccc(C2CNCc3cc(OCC4CCN(C(C)C)CC4)ncc32)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydro-2,6-naphthyridine?
The InChIKey is CKIBSEDGQQBNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-17(2)27-10-8-18(9-11-27)16-29-24-12-20-13-25-14-22(23(20)15-26-24)19-4-6-21(28-3)7-5-19/h4-7,12,15,17-18,22,25H,8-11,13-14,16H2,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydro-2,6-naphthyridine?
4-(4-methoxyphenyl)-7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydro-2,6-naphthyridine has a molecular weight of 395.55 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydro-2,6-naphthyridine is sourced from PubChem (CID 15981911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).