N-[[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide

C25H24F3N3O — CID 110228772

IUPACN-[[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide
SMILESO=C(NC(c1ccccn1)C1CCCN(Cc2ccc(F)c(F)c2)C1)c1cccc(F)c1
InChIInChI=1S/C25H24F3N3O/c26-20-7-3-5-18(14-20)25(32)30-24(23-8-1-2-11-29-23)19-6-4-12-31(16-19)15-17-9-10-21(27)22(28)13-17/h1-3,5,7-11,13-14,19,24H,4,6,12,15-16H2,(H,30,32)
InChIKeyOVDVIHZHNCOBMB-UHFFFAOYSA-N
MW439.48 g/mol
LogP4.88
Rot. Bonds6

About N-[[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide

N-[[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide (PubChem CID 110228772) has the molecular formula C25H24F3N3O and a molecular weight of 439.48 g/mol. Its IUPAC name is N-[[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide
PubChem CID110228772
Molecular FormulaC25H24F3N3O
Molecular Weight439.48 g/mol
Exact Mass439.19
IUPAC NameN-[[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide
SMILESO=C(NC(c1ccccn1)C1CCCN(Cc2ccc(F)c(F)c2)C1)c1cccc(F)c1
InChIInChI=1S/C25H24F3N3O/c26-20-7-3-5-18(14-20)25(32)30-24(23-8-1-2-11-29-23)19-6-4-12-31(16-19)15-17-9-10-21(27)22(28)13-17/h1-3,5,7-11,13-14,19,24H,4,6,12,15-16H2,(H,30,32)
InChIKeyOVDVIHZHNCOBMB-UHFFFAOYSA-N
XLogP4.88
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]benzamide
CID 110228766
N-[(R)-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide
CID 92577278
3-fluoro-N-[(S)-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]benzamide
CID 95795487
N-[(S)-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide
CID 92577245
N-[[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 110228759
N-[(R)-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide
CID 92577202
N-[(S)-[(3S)-1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide
CID 92577155
3-fluoro-N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide
CID 92572784
3-fluoro-N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide
CID 110228651
N-[(R)-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-phenylpropanamide
CID 92574646
N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-phenylpropanamide
CID 110229251
3-fluoro-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide
CID 110228605

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide?
The IUPAC name of N-[[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide (CID 110228772) is N-[[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide?
The canonical SMILES for N-[[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide is O=C(NC(c1ccccn1)C1CCCN(Cc2ccc(F)c(F)c2)C1)c1cccc(F)c1.
What is the InChIKey of N-[[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide?
The InChIKey is OVDVIHZHNCOBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O/c26-20-7-3-5-18(14-20)25(32)30-24(23-8-1-2-11-29-23)19-6-4-12-31(16-19)15-17-9-10-21(27)22(28)13-17/h1-3,5,7-11,13-14,19,24H,4,6,12,15-16H2,(H,30,32).
What are the key properties of N-[[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide?
N-[[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide has a molecular weight of 439.48 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide is sourced from PubChem (CID 110228772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).