N-[4-(2-piperidin-1-ylethoxy)phenyl]-1,10-phenanthroline-2-carboxamide

C26H26N4O2 — CID 23661232

IUPACN-[4-(2-piperidin-1-ylethoxy)phenyl]-1,10-phenanthroline-2-carboxamide
SMILESO=C(Nc1ccc(OCCN2CCCCC2)cc1)c1ccc2ccc3cccnc3c2n1
InChIInChI=1S/C26H26N4O2/c31-26(23-13-8-20-7-6-19-5-4-14-27-24(19)25(20)29-23)28-21-9-11-22(12-10-21)32-18-17-30-15-2-1-3-16-30/h4-14H,1-3,15-18H2,(H,28,31)
InChIKeyMLWWRWXSEHQWKJ-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.90
Rot. Bonds6

About N-[4-(2-piperidin-1-ylethoxy)phenyl]-1,10-phenanthroline-2-carboxamide

N-[4-(2-piperidin-1-ylethoxy)phenyl]-1,10-phenanthroline-2-carboxamide (PubChem CID 23661232) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[4-(2-piperidin-1-ylethoxy)phenyl]-1,10-phenanthroline-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-piperidin-1-ylethoxy)phenyl]-1,10-phenanthroline-2-carboxamide
PubChem CID23661232
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC NameN-[4-(2-piperidin-1-ylethoxy)phenyl]-1,10-phenanthroline-2-carboxamide
SMILESO=C(Nc1ccc(OCCN2CCCCC2)cc1)c1ccc2ccc3cccnc3c2n1
InChIInChI=1S/C26H26N4O2/c31-26(23-13-8-20-7-6-19-5-4-14-27-24(19)25(20)29-23)28-21-9-11-22(12-10-21)32-18-17-30-15-2-1-3-16-30/h4-14H,1-3,15-18H2,(H,28,31)
InChIKeyMLWWRWXSEHQWKJ-UHFFFAOYSA-N
XLogP4.90
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-piperidin-1-ylethoxy)phenyl]-1,10-phenanthroline-2-carboxamide?
The IUPAC name of N-[4-(2-piperidin-1-ylethoxy)phenyl]-1,10-phenanthroline-2-carboxamide (CID 23661232) is N-[4-(2-piperidin-1-ylethoxy)phenyl]-1,10-phenanthroline-2-carboxamide.
What is the SMILES notation for N-[4-(2-piperidin-1-ylethoxy)phenyl]-1,10-phenanthroline-2-carboxamide?
The canonical SMILES for N-[4-(2-piperidin-1-ylethoxy)phenyl]-1,10-phenanthroline-2-carboxamide is O=C(Nc1ccc(OCCN2CCCCC2)cc1)c1ccc2ccc3cccnc3c2n1.
What is the InChIKey of N-[4-(2-piperidin-1-ylethoxy)phenyl]-1,10-phenanthroline-2-carboxamide?
The InChIKey is MLWWRWXSEHQWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c31-26(23-13-8-20-7-6-19-5-4-14-27-24(19)25(20)29-23)28-21-9-11-22(12-10-21)32-18-17-30-15-2-1-3-16-30/h4-14H,1-3,15-18H2,(H,28,31).
What are the key properties of N-[4-(2-piperidin-1-ylethoxy)phenyl]-1,10-phenanthroline-2-carboxamide?
N-[4-(2-piperidin-1-ylethoxy)phenyl]-1,10-phenanthroline-2-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-piperidin-1-ylethoxy)phenyl]-1,10-phenanthroline-2-carboxamide is sourced from PubChem (CID 23661232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).