4-fluoro-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide

C28H32FN5O — CID 90076936

IUPAC4-fluoro-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide
SMILESO=C(NC1CCN(Cc2ccc(N3CCCCC3)nc2)CC1)c1ccc(F)c(-c2cccnc2)c1
InChIInChI=1S/C28H32FN5O/c29-26-8-7-22(17-25(26)23-5-4-12-30-19-23)28(35)32-24-10-15-33(16-11-24)20-21-6-9-27(31-18-21)34-13-2-1-3-14-34/h4-9,12,17-19,24H,1-3,10-11,13-16,20H2,(H,32,35)
InChIKeyNJJOOWKPTIHWBQ-UHFFFAOYSA-N
MW473.60 g/mol
LogP4.67
Rot. Bonds6

About 4-fluoro-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide

4-fluoro-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide (PubChem CID 90076936) has the molecular formula C28H32FN5O and a molecular weight of 473.60 g/mol. Its IUPAC name is 4-fluoro-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide
PubChem CID90076936
Molecular FormulaC28H32FN5O
Molecular Weight473.60 g/mol
Exact Mass473.26
IUPAC Name4-fluoro-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide
SMILESO=C(NC1CCN(Cc2ccc(N3CCCCC3)nc2)CC1)c1ccc(F)c(-c2cccnc2)c1
InChIInChI=1S/C28H32FN5O/c29-26-8-7-22(17-25(26)23-5-4-12-30-19-23)28(35)32-24-10-15-33(16-11-24)20-21-6-9-27(31-18-21)34-13-2-1-3-14-34/h4-9,12,17-19,24H,1-3,10-11,13-16,20H2,(H,32,35)
InChIKeyNJJOOWKPTIHWBQ-UHFFFAOYSA-N
XLogP4.67
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide with MolForge

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Launch Full Analysis

Related Compounds

N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide
CID 90076746
N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide
CID 90076905
4-methyl-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide
CID 73437917
4-fluoro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-4-ylbenzamide
CID 73437970
4-methyl-3-pyridin-4-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide
CID 118154894
4-fluoro-2-methyl-3-pyridin-3-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide
CID 73437741
N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide
CID 118154855
4-chloro-3-pyridazin-3-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide
CID 118154926
2-methyl-3-pyridin-3-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide
CID 73438509
4-methyl-N-[1-[5-[(2-methylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide
CID 144590324
N-[1-[5-[[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide
CID 118154803
4-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-4-ylbenzamide
CID 73438337

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide?
The IUPAC name of 4-fluoro-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide (CID 90076936) is 4-fluoro-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-fluoro-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide?
The canonical SMILES for 4-fluoro-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide is O=C(NC1CCN(Cc2ccc(N3CCCCC3)nc2)CC1)c1ccc(F)c(-c2cccnc2)c1.
What is the InChIKey of 4-fluoro-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide?
The InChIKey is NJJOOWKPTIHWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN5O/c29-26-8-7-22(17-25(26)23-5-4-12-30-19-23)28(35)32-24-10-15-33(16-11-24)20-21-6-9-27(31-18-21)34-13-2-1-3-14-34/h4-9,12,17-19,24H,1-3,10-11,13-16,20H2,(H,32,35).
What are the key properties of 4-fluoro-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide?
4-fluoro-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide has a molecular weight of 473.60 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide is sourced from PubChem (CID 90076936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).