4-[4-[(2,5-difluorophenyl)methylidene]piperidin-1-yl]-N-pyridin-2-ylpiperidine-1-carboxamide

C23H26F2N4O — CID 141321235

IUPAC4-[4-[(2,5-difluorophenyl)methylidene]piperidin-1-yl]-N-pyridin-2-ylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccn1)N1CCC(N2CCC(=Cc3cc(F)ccc3F)CC2)CC1
InChIInChI=1S/C23H26F2N4O/c24-19-4-5-21(25)18(16-19)15-17-6-11-28(12-7-17)20-8-13-29(14-9-20)23(30)27-22-3-1-2-10-26-22/h1-5,10,15-16,20H,6-9,11-14H2,(H,26,27,30)
InChIKeyVVDNGXLCWRNHDX-UHFFFAOYSA-N
MW412.48 g/mol
LogP4.54
Rot. Bonds3

About 4-[4-[(2,5-difluorophenyl)methylidene]piperidin-1-yl]-N-pyridin-2-ylpiperidine-1-carboxamide

4-[4-[(2,5-difluorophenyl)methylidene]piperidin-1-yl]-N-pyridin-2-ylpiperidine-1-carboxamide (PubChem CID 141321235) has the molecular formula C23H26F2N4O and a molecular weight of 412.48 g/mol. Its IUPAC name is 4-[4-[(2,5-difluorophenyl)methylidene]piperidin-1-yl]-N-pyridin-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-[(2,5-difluorophenyl)methylidene]piperidin-1-yl]-N-pyridin-2-ylpiperidine-1-carboxamide
PubChem CID141321235
Molecular FormulaC23H26F2N4O
Molecular Weight412.48 g/mol
Exact Mass412.21
IUPAC Name4-[4-[(2,5-difluorophenyl)methylidene]piperidin-1-yl]-N-pyridin-2-ylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccn1)N1CCC(N2CCC(=Cc3cc(F)ccc3F)CC2)CC1
InChIInChI=1S/C23H26F2N4O/c24-19-4-5-21(25)18(16-19)15-17-6-11-28(12-7-17)20-8-13-29(14-9-20)23(30)27-22-3-1-2-10-26-22/h1-5,10,15-16,20H,6-9,11-14H2,(H,26,27,30)
InChIKeyVVDNGXLCWRNHDX-UHFFFAOYSA-N
XLogP4.54
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2,5-difluorophenyl)methylidene]piperidin-1-yl]-N-pyridin-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[4-[(2,5-difluorophenyl)methylidene]piperidin-1-yl]-N-pyridin-2-ylpiperidine-1-carboxamide (CID 141321235) is 4-[4-[(2,5-difluorophenyl)methylidene]piperidin-1-yl]-N-pyridin-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[4-[(2,5-difluorophenyl)methylidene]piperidin-1-yl]-N-pyridin-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[4-[(2,5-difluorophenyl)methylidene]piperidin-1-yl]-N-pyridin-2-ylpiperidine-1-carboxamide is O=C(Nc1ccccn1)N1CCC(N2CCC(=Cc3cc(F)ccc3F)CC2)CC1.
What is the InChIKey of 4-[4-[(2,5-difluorophenyl)methylidene]piperidin-1-yl]-N-pyridin-2-ylpiperidine-1-carboxamide?
The InChIKey is VVDNGXLCWRNHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4O/c24-19-4-5-21(25)18(16-19)15-17-6-11-28(12-7-17)20-8-13-29(14-9-20)23(30)27-22-3-1-2-10-26-22/h1-5,10,15-16,20H,6-9,11-14H2,(H,26,27,30).
What are the key properties of 4-[4-[(2,5-difluorophenyl)methylidene]piperidin-1-yl]-N-pyridin-2-ylpiperidine-1-carboxamide?
4-[4-[(2,5-difluorophenyl)methylidene]piperidin-1-yl]-N-pyridin-2-ylpiperidine-1-carboxamide has a molecular weight of 412.48 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2,5-difluorophenyl)methylidene]piperidin-1-yl]-N-pyridin-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 141321235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).