N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide

C28H32FN3O3 — CID 46943049

IUPACN-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide
SMILESCOc1ccc(OCCN2CCC(C(=O)NC(c3ccc(F)cc3)c3ncccc3C)CC2)cc1
InChIInChI=1S/C28H32FN3O3/c1-20-4-3-15-30-26(20)27(21-5-7-23(29)8-6-21)31-28(33)22-13-16-32(17-14-22)18-19-35-25-11-9-24(34-2)10-12-25/h3-12,15,22,27H,13-14,16-19H2,1-2H3,(H,31,33)
InChIKeyWWEPSQACVRNURQ-UHFFFAOYSA-N
MW477.58 g/mol
LogP4.53
Rot. Bonds9

About N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide

N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide (PubChem CID 46943049) has the molecular formula C28H32FN3O3 and a molecular weight of 477.58 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide
PubChem CID46943049
Molecular FormulaC28H32FN3O3
Molecular Weight477.58 g/mol
Exact Mass477.24
IUPAC NameN-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide
SMILESCOc1ccc(OCCN2CCC(C(=O)NC(c3ccc(F)cc3)c3ncccc3C)CC2)cc1
InChIInChI=1S/C28H32FN3O3/c1-20-4-3-15-30-26(20)27(21-5-7-23(29)8-6-21)31-28(33)22-13-16-32(17-14-22)18-19-35-25-11-9-24(34-2)10-12-25/h3-12,15,22,27H,13-14,16-19H2,1-2H3,(H,31,33)
InChIKeyWWEPSQACVRNURQ-UHFFFAOYSA-N
XLogP4.53
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.58
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide (CID 46943049) is N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide is COc1ccc(OCCN2CCC(C(=O)NC(c3ccc(F)cc3)c3ncccc3C)CC2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide?
The InChIKey is WWEPSQACVRNURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN3O3/c1-20-4-3-15-30-26(20)27(21-5-7-23(29)8-6-21)31-28(33)22-13-16-32(17-14-22)18-19-35-25-11-9-24(34-2)10-12-25/h3-12,15,22,27H,13-14,16-19H2,1-2H3,(H,31,33).
What are the key properties of N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide?
N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide has a molecular weight of 477.58 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 46943049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).