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

C25H24F3N3O — CID 92577278

IUPACN-[(R)-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide
SMILESO=C(N[C@@H](c1ccccn1)C1CCN(Cc2ccc(F)c(F)c2)CC1)c1cccc(F)c1
InChIInChI=1S/C25H24F3N3O/c26-20-5-3-4-19(15-20)25(32)30-24(23-6-1-2-11-29-23)18-9-12-31(13-10-18)16-17-7-8-21(27)22(28)14-17/h1-8,11,14-15,18,24H,9-10,12-13,16H2,(H,30,32)/t24-/m1/s1
InChIKeyQGPSDQPPSKYWBU-XMMPIXPASA-N
MW439.48 g/mol
LogP4.88
Rot. Bonds6

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

N-[(R)-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide (PubChem CID 92577278) has the molecular formula C25H24F3N3O and a molecular weight of 439.48 g/mol. Its IUPAC name is N-[(R)-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(R)-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide
PubChem CID92577278
Molecular FormulaC25H24F3N3O
Molecular Weight439.48 g/mol
Exact Mass439.19
IUPAC NameN-[(R)-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide
SMILESO=C(N[C@@H](c1ccccn1)C1CCN(Cc2ccc(F)c(F)c2)CC1)c1cccc(F)c1
InChIInChI=1S/C25H24F3N3O/c26-20-5-3-4-19(15-20)25(32)30-24(23-6-1-2-11-29-23)18-9-12-31(13-10-18)16-17-7-8-21(27)22(28)14-17/h1-8,11,14-15,18,24H,9-10,12-13,16H2,(H,30,32)/t24-/m1/s1
InChIKeyQGPSDQPPSKYWBU-XMMPIXPASA-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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Frequently Asked Questions

What is the IUPAC name of N-[(R)-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide?
The IUPAC name of N-[(R)-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide (CID 92577278) is N-[(R)-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[(R)-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide?
The canonical SMILES for N-[(R)-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide is O=C(N[C@@H](c1ccccn1)C1CCN(Cc2ccc(F)c(F)c2)CC1)c1cccc(F)c1.
What is the InChIKey of N-[(R)-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide?
The InChIKey is QGPSDQPPSKYWBU-XMMPIXPASA-N. The full InChI is InChI=1S/C25H24F3N3O/c26-20-5-3-4-19(15-20)25(32)30-24(23-6-1-2-11-29-23)18-9-12-31(13-10-18)16-17-7-8-21(27)22(28)14-17/h1-8,11,14-15,18,24H,9-10,12-13,16H2,(H,30,32)/t24-/m1/s1.
What are the key properties of N-[(R)-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide?
N-[(R)-[1-[(3,4-difluorophenyl)methyl]piperidin-4-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-[(R)-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide is sourced from PubChem (CID 92577278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).