N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-2,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide

C26H23F3N4O — CID 24731107

IUPACN-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-2,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide
SMILESN#Cc1cccc(CN2CCC(N(Cc3cccnc3)C(=O)c3cc(F)c(F)cc3F)CC2)c1
InChIInChI=1S/C26H23F3N4O/c27-23-13-25(29)24(28)12-22(23)26(34)33(17-20-5-2-8-31-15-20)21-6-9-32(10-7-21)16-19-4-1-3-18(11-19)14-30/h1-5,8,11-13,15,21H,6-7,9-10,16-17H2
InChIKeyMCHMPJWVRBHYOW-UHFFFAOYSA-N
MW464.49 g/mol
LogP4.68
Rot. Bonds6

About N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-2,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide

N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-2,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 24731107) has the molecular formula C26H23F3N4O and a molecular weight of 464.49 g/mol. Its IUPAC name is N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-2,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-2,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide
PubChem CID24731107
Molecular FormulaC26H23F3N4O
Molecular Weight464.49 g/mol
Exact Mass464.18
IUPAC NameN-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-2,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide
SMILESN#Cc1cccc(CN2CCC(N(Cc3cccnc3)C(=O)c3cc(F)c(F)cc3F)CC2)c1
InChIInChI=1S/C26H23F3N4O/c27-23-13-25(29)24(28)12-22(23)26(34)33(17-20-5-2-8-31-15-20)21-6-9-32(10-7-21)16-19-4-1-3-18(11-19)14-30/h1-5,8,11-13,15,21H,6-7,9-10,16-17H2
InChIKeyMCHMPJWVRBHYOW-UHFFFAOYSA-N
XLogP4.68
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-2,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-2,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide (CID 24731107) is N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-2,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-2,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-2,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide is N#Cc1cccc(CN2CCC(N(Cc3cccnc3)C(=O)c3cc(F)c(F)cc3F)CC2)c1.
What is the InChIKey of N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-2,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is MCHMPJWVRBHYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O/c27-23-13-25(29)24(28)12-22(23)26(34)33(17-20-5-2-8-31-15-20)21-6-9-32(10-7-21)16-19-4-1-3-18(11-19)14-30/h1-5,8,11-13,15,21H,6-7,9-10,16-17H2.
What are the key properties of N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-2,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide?
N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-2,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 464.49 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-2,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 24731107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).