1-[3-(4-fluorophenyl)propanoyl]-N-methyl-4-phenyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C28H30FN3O2 — CID 23600333

IUPAC1-[3-(4-fluorophenyl)propanoyl]-N-methyl-4-phenyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCN(Cc1cccnc1)C(=O)C1(c2ccccc2)CCN(C(=O)CCc2ccc(F)cc2)CC1
InChIInChI=1S/C28H30FN3O2/c1-31(21-23-6-5-17-30-20-23)27(34)28(24-7-3-2-4-8-24)15-18-32(19-16-28)26(33)14-11-22-9-12-25(29)13-10-22/h2-10,12-13,17,20H,11,14-16,18-19,21H2,1H3
InChIKeyIEKCDHIHTTZZLV-UHFFFAOYSA-N
MW459.57 g/mol
LogP4.37
Rot. Bonds7

About 1-[3-(4-fluorophenyl)propanoyl]-N-methyl-4-phenyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

1-[3-(4-fluorophenyl)propanoyl]-N-methyl-4-phenyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 23600333) has the molecular formula C28H30FN3O2 and a molecular weight of 459.57 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)propanoyl]-N-methyl-4-phenyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)propanoyl]-N-methyl-4-phenyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID23600333
Molecular FormulaC28H30FN3O2
Molecular Weight459.57 g/mol
Exact Mass459.23
IUPAC Name1-[3-(4-fluorophenyl)propanoyl]-N-methyl-4-phenyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCN(Cc1cccnc1)C(=O)C1(c2ccccc2)CCN(C(=O)CCc2ccc(F)cc2)CC1
InChIInChI=1S/C28H30FN3O2/c1-31(21-23-6-5-17-30-20-23)27(34)28(24-7-3-2-4-8-24)15-18-32(19-16-28)26(33)14-11-22-9-12-25(29)13-10-22/h2-10,12-13,17,20H,11,14-16,18-19,21H2,1H3
InChIKeyIEKCDHIHTTZZLV-UHFFFAOYSA-N
XLogP4.37
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)propanoyl]-N-methyl-4-phenyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-(4-fluorophenyl)propanoyl]-N-methyl-4-phenyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 23600333) is 1-[3-(4-fluorophenyl)propanoyl]-N-methyl-4-phenyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(4-fluorophenyl)propanoyl]-N-methyl-4-phenyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(4-fluorophenyl)propanoyl]-N-methyl-4-phenyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is CN(Cc1cccnc1)C(=O)C1(c2ccccc2)CCN(C(=O)CCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[3-(4-fluorophenyl)propanoyl]-N-methyl-4-phenyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is IEKCDHIHTTZZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN3O2/c1-31(21-23-6-5-17-30-20-23)27(34)28(24-7-3-2-4-8-24)15-18-32(19-16-28)26(33)14-11-22-9-12-25(29)13-10-22/h2-10,12-13,17,20H,11,14-16,18-19,21H2,1H3.
What are the key properties of 1-[3-(4-fluorophenyl)propanoyl]-N-methyl-4-phenyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-[3-(4-fluorophenyl)propanoyl]-N-methyl-4-phenyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 459.57 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)propanoyl]-N-methyl-4-phenyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 23600333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).