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

C22H28ClN3O — CID 15983708

IUPAC4-(4-chlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
SMILESClc1ccc(C2CNCc3cc(OCCCN4CCCCC4)ncc32)cc1
InChIInChI=1S/C22H28ClN3O/c23-19-7-5-17(6-8-19)20-15-24-14-18-13-22(25-16-21(18)20)27-12-4-11-26-9-2-1-3-10-26/h5-8,13,16,20,24H,1-4,9-12,14-15H2
InChIKeyPSPXVYVVQAMREV-UHFFFAOYSA-N
MW385.94 g/mol
LogP4.22
Rot. Bonds6

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

4-(4-chlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine (PubChem CID 15983708) has the molecular formula C22H28ClN3O and a molecular weight of 385.94 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
PubChem CID15983708
Molecular FormulaC22H28ClN3O
Molecular Weight385.94 g/mol
Exact Mass385.19
IUPAC Name4-(4-chlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
SMILESClc1ccc(C2CNCc3cc(OCCCN4CCCCC4)ncc32)cc1
InChIInChI=1S/C22H28ClN3O/c23-19-7-5-17(6-8-19)20-15-24-14-18-13-22(25-16-21(18)20)27-12-4-11-26-9-2-1-3-10-26/h5-8,13,16,20,24H,1-4,9-12,14-15H2
InChIKeyPSPXVYVVQAMREV-UHFFFAOYSA-N
XLogP4.22
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 44133853
CID 44133853
CID 15983456
CID 15983456
CID 15983457
CID 15983457
CID 15983836
CID 15983836
CID 25263326
CID 25263326
CID 25263330
CID 25263330
CID 25263334
CID 25263334
CID 25263336
CID 25263336
CID 25263337
CID 25263337
CID 25263338
CID 25263338
CID 25263339
CID 25263339
CID 15981911
CID 15981911

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine?
The IUPAC name of 4-(4-chlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine (CID 15983708) is 4-(4-chlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine.
What is the SMILES notation for 4-(4-chlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine?
The canonical SMILES for 4-(4-chlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine is Clc1ccc(C2CNCc3cc(OCCCN4CCCCC4)ncc32)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine?
The InChIKey is PSPXVYVVQAMREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O/c23-19-7-5-17(6-8-19)20-15-24-14-18-13-22(25-16-21(18)20)27-12-4-11-26-9-2-1-3-10-26/h5-8,13,16,20,24H,1-4,9-12,14-15H2.
What are the key properties of 4-(4-chlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine?
4-(4-chlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine has a molecular weight of 385.94 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine is sourced from PubChem (CID 15983708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).