4-(4-methoxyphenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine

C23H31N3O2 — CID 15983458

IUPAC4-(4-methoxyphenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
SMILESCOc1ccc(C2CNCc3cc(OCCCN4CCCCC4)ncc32)cc1
InChIInChI=1S/C23H31N3O2/c1-27-20-8-6-18(7-9-20)21-16-24-15-19-14-23(25-17-22(19)21)28-13-5-12-26-10-3-2-4-11-26/h6-9,14,17,21,24H,2-5,10-13,15-16H2,1H3
InChIKeyOQGUTEKSOMCPOG-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.58
Rot. Bonds7

About 4-(4-methoxyphenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine

4-(4-methoxyphenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine (PubChem CID 15983458) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
PubChem CID15983458
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name4-(4-methoxyphenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
SMILESCOc1ccc(C2CNCc3cc(OCCCN4CCCCC4)ncc32)cc1
InChIInChI=1S/C23H31N3O2/c1-27-20-8-6-18(7-9-20)21-16-24-15-19-14-23(25-17-22(19)21)28-13-5-12-26-10-3-2-4-11-26/h6-9,14,17,21,24H,2-5,10-13,15-16H2,1H3
InChIKeyOQGUTEKSOMCPOG-UHFFFAOYSA-N
XLogP3.58
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-methoxyphenyl)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983704
(4S)-4-(3,4-dichlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15982168
4-[3-[[8-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]oxy]propyl]morpholine
CID 15983837
4-(4-chlorophenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine
CID 15981916
6,7-dimethoxy-4-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 617484
7-[3-(azetidin-1-yl)propoxy]-4-(4-methoxyphenyl)-2,6-dimethyl-3,4-dihydro-1H-isoquinoline
CID 70807228
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
5-[(1S,2S)-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2-pyrrolidin-1-ylethoxy)pyridine
CID 15388802
8-[3-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 11597632
1-[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine
CID 61493815
2-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline
CID 69089727
4-(4-methoxyphenyl)-7-(1-piperidin-3-ylpropoxy)-1,2,3,4-tetrahydroisoquinoline
CID 66898215

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine?
The IUPAC name of 4-(4-methoxyphenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine (CID 15983458) is 4-(4-methoxyphenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine.
What is the SMILES notation for 4-(4-methoxyphenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine?
The canonical SMILES for 4-(4-methoxyphenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine is COc1ccc(C2CNCc3cc(OCCCN4CCCCC4)ncc32)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine?
The InChIKey is OQGUTEKSOMCPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-27-20-8-6-18(7-9-20)21-16-24-15-19-14-23(25-17-22(19)21)28-13-5-12-26-10-3-2-4-11-26/h6-9,14,17,21,24H,2-5,10-13,15-16H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine?
4-(4-methoxyphenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine has a molecular weight of 381.52 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine is sourced from PubChem (CID 15983458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).