N-[2-(3-fluorophenyl)ethyl]-2-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]acetamide

C28H33FN4O2 — CID 42480900

IUPACN-[2-(3-fluorophenyl)ethyl]-2-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]acetamide
SMILESO=C(Cc1ccc(N2CCC(NCCOc3cccnc3)CC2)cc1)NCCc1cccc(F)c1
InChIInChI=1S/C28H33FN4O2/c29-24-4-1-3-22(19-24)10-14-32-28(34)20-23-6-8-26(9-7-23)33-16-11-25(12-17-33)31-15-18-35-27-5-2-13-30-21-27/h1-9,13,19,21,25,31H,10-12,14-18,20H2,(H,32,34)
InChIKeyQUQCOEPVSLVAJP-UHFFFAOYSA-N
MW476.60 g/mol
LogP3.76
Rot. Bonds11

About N-[2-(3-fluorophenyl)ethyl]-2-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]acetamide

N-[2-(3-fluorophenyl)ethyl]-2-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]acetamide (PubChem CID 42480900) has the molecular formula C28H33FN4O2 and a molecular weight of 476.60 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-2-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-2-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]acetamide
PubChem CID42480900
Molecular FormulaC28H33FN4O2
Molecular Weight476.60 g/mol
Exact Mass476.26
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-2-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]acetamide
SMILESO=C(Cc1ccc(N2CCC(NCCOc3cccnc3)CC2)cc1)NCCc1cccc(F)c1
InChIInChI=1S/C28H33FN4O2/c29-24-4-1-3-22(19-24)10-14-32-28(34)20-23-6-8-26(9-7-23)33-16-11-25(12-17-33)31-15-18-35-27-5-2-13-30-21-27/h1-9,13,19,21,25,31H,10-12,14-18,20H2,(H,32,34)
InChIKeyQUQCOEPVSLVAJP-UHFFFAOYSA-N
XLogP3.76
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]acetamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]acetamide (CID 42480900) is N-[2-(3-fluorophenyl)ethyl]-2-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-2-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-2-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]acetamide is O=C(Cc1ccc(N2CCC(NCCOc3cccnc3)CC2)cc1)NCCc1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-2-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]acetamide?
The InChIKey is QUQCOEPVSLVAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN4O2/c29-24-4-1-3-22(19-24)10-14-32-28(34)20-23-6-8-26(9-7-23)33-16-11-25(12-17-33)31-15-18-35-27-5-2-13-30-21-27/h1-9,13,19,21,25,31H,10-12,14-18,20H2,(H,32,34).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-2-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]acetamide?
N-[2-(3-fluorophenyl)ethyl]-2-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]acetamide has a molecular weight of 476.60 g/mol, XLogP of 3.76, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-2-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 42480900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).