1-[3-(4-fluorophenoxy)propyl]-N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide

C29H33F2N3O2 — CID 46942412

IUPAC1-[3-(4-fluorophenoxy)propyl]-N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCc1cccnc1C(c1ccc(F)cc1)N(C)C(=O)C1CCN(CCCOc2ccc(F)cc2)CC1
InChIInChI=1S/C29H33F2N3O2/c1-21-5-3-16-32-27(21)28(22-6-8-24(30)9-7-22)33(2)29(35)23-14-18-34(19-15-23)17-4-20-36-26-12-10-25(31)11-13-26/h3,5-13,16,23,28H,4,14-15,17-20H2,1-2H3
InChIKeyPQPYPFWRSVIGKN-UHFFFAOYSA-N
MW493.60 g/mol
LogP5.40
Rot. Bonds9

About 1-[3-(4-fluorophenoxy)propyl]-N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide

1-[3-(4-fluorophenoxy)propyl]-N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 46942412) has the molecular formula C29H33F2N3O2 and a molecular weight of 493.60 g/mol. Its IUPAC name is 1-[3-(4-fluorophenoxy)propyl]-N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(4-fluorophenoxy)propyl]-N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide
PubChem CID46942412
Molecular FormulaC29H33F2N3O2
Molecular Weight493.60 g/mol
Exact Mass493.25
IUPAC Name1-[3-(4-fluorophenoxy)propyl]-N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCc1cccnc1C(c1ccc(F)cc1)N(C)C(=O)C1CCN(CCCOc2ccc(F)cc2)CC1
InChIInChI=1S/C29H33F2N3O2/c1-21-5-3-16-32-27(21)28(22-6-8-24(30)9-7-22)33(2)29(35)23-14-18-34(19-15-23)17-4-20-36-26-12-10-25(31)11-13-26/h3,5-13,16,23,28H,4,14-15,17-20H2,1-2H3
InChIKeyPQPYPFWRSVIGKN-UHFFFAOYSA-N
XLogP5.40
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.60
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenoxy)propyl]-N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-(4-fluorophenoxy)propyl]-N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide (CID 46942412) is 1-[3-(4-fluorophenoxy)propyl]-N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(4-fluorophenoxy)propyl]-N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-(4-fluorophenoxy)propyl]-N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide is Cc1cccnc1C(c1ccc(F)cc1)N(C)C(=O)C1CCN(CCCOc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[3-(4-fluorophenoxy)propyl]-N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is PQPYPFWRSVIGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F2N3O2/c1-21-5-3-16-32-27(21)28(22-6-8-24(30)9-7-22)33(2)29(35)23-14-18-34(19-15-23)17-4-20-36-26-12-10-25(31)11-13-26/h3,5-13,16,23,28H,4,14-15,17-20H2,1-2H3.
What are the key properties of 1-[3-(4-fluorophenoxy)propyl]-N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide?
1-[3-(4-fluorophenoxy)propyl]-N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 493.60 g/mol, XLogP of 5.40, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenoxy)propyl]-N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 46942412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).