4-[2-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]ethyl]-N,N-dimethylaniline

C26H34N4O — CID 165017215

IUPAC4-[2-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]ethyl]-N,N-dimethylaniline
SMILESCOc1ccc2nccc(CCN3CCC(CCc4ccc(N(C)C)cc4)CC3)c2n1
InChIInChI=1S/C26H34N4O/c1-29(2)23-8-6-20(7-9-23)4-5-21-13-17-30(18-14-21)19-15-22-12-16-27-24-10-11-25(31-3)28-26(22)24/h6-12,16,21H,4-5,13-15,17-19H2,1-3H3
InChIKeyKPOJDRXEEMUZAC-UHFFFAOYSA-N
MW418.59 g/mol
LogP4.59
Rot. Bonds8

About 4-[2-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]ethyl]-N,N-dimethylaniline

4-[2-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]ethyl]-N,N-dimethylaniline (PubChem CID 165017215) has the molecular formula C26H34N4O and a molecular weight of 418.59 g/mol. Its IUPAC name is 4-[2-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]ethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]ethyl]-N,N-dimethylaniline
PubChem CID165017215
Molecular FormulaC26H34N4O
Molecular Weight418.59 g/mol
Exact Mass418.27
IUPAC Name4-[2-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]ethyl]-N,N-dimethylaniline
SMILESCOc1ccc2nccc(CCN3CCC(CCc4ccc(N(C)C)cc4)CC3)c2n1
InChIInChI=1S/C26H34N4O/c1-29(2)23-8-6-20(7-9-23)4-5-21-13-17-30(18-14-21)19-15-22-12-16-27-24-10-11-25(31-3)28-26(22)24/h6-12,16,21H,4-5,13-15,17-19H2,1-3H3
InChIKeyKPOJDRXEEMUZAC-UHFFFAOYSA-N
XLogP4.59
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.59
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]ethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]ethyl]-N,N-dimethylaniline (CID 165017215) is 4-[2-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]ethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]ethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]ethyl]-N,N-dimethylaniline is COc1ccc2nccc(CCN3CCC(CCc4ccc(N(C)C)cc4)CC3)c2n1.
What is the InChIKey of 4-[2-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]ethyl]-N,N-dimethylaniline?
The InChIKey is KPOJDRXEEMUZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O/c1-29(2)23-8-6-20(7-9-23)4-5-21-13-17-30(18-14-21)19-15-22-12-16-27-24-10-11-25(31-3)28-26(22)24/h6-12,16,21H,4-5,13-15,17-19H2,1-3H3.
What are the key properties of 4-[2-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]ethyl]-N,N-dimethylaniline?
4-[2-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]ethyl]-N,N-dimethylaniline has a molecular weight of 418.59 g/mol, XLogP of 4.59, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]ethyl]-N,N-dimethylaniline is sourced from PubChem (CID 165017215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).