2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide

C26H25F2N3O2 — CID 42848178

IUPAC2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide
SMILESO=C(NC1CCN(c2ccccc2C(=O)NCc2cccc(F)c2)CC1)c1ccc(F)cc1
InChIInChI=1S/C26H25F2N3O2/c27-20-10-8-19(9-11-20)25(32)30-22-12-14-31(15-13-22)24-7-2-1-6-23(24)26(33)29-17-18-4-3-5-21(28)16-18/h1-11,16,22H,12-15,17H2,(H,29,33)(H,30,32)
InChIKeyATIJLRPZLWLSLJ-UHFFFAOYSA-N
MW449.50 g/mol
LogP4.29
Rot. Bonds6

About 2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide

2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide (PubChem CID 42848178) has the molecular formula C26H25F2N3O2 and a molecular weight of 449.50 g/mol. Its IUPAC name is 2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide
PubChem CID42848178
Molecular FormulaC26H25F2N3O2
Molecular Weight449.50 g/mol
Exact Mass449.19
IUPAC Name2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide
SMILESO=C(NC1CCN(c2ccccc2C(=O)NCc2cccc(F)c2)CC1)c1ccc(F)cc1
InChIInChI=1S/C26H25F2N3O2/c27-20-10-8-19(9-11-20)25(32)30-22-12-14-31(15-13-22)24-7-2-1-6-23(24)26(33)29-17-18-4-3-5-21(28)16-18/h1-11,16,22H,12-15,17H2,(H,29,33)(H,30,32)
InChIKeyATIJLRPZLWLSLJ-UHFFFAOYSA-N
XLogP4.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluorophenyl)methyl]-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide
CID 42848467
N-[(3-fluorophenyl)methyl]-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide
CID 42848180
2-[4-(3,3-dimethylbutanoylamino)piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide
CID 42848187
N-[(4-fluorophenyl)methyl]-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide
CID 46037582
N-[(3-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide
CID 46038594
N-[3-(dimethylamino)propyl]-2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]benzamide
CID 42848136
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-2-methylbutyl]benzamide
CID 93324251
2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 46037520
2-[4-(3,3-dimethylbutanoylamino)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]benzamide
CID 46037577
2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 24719002
N-[(4-fluorophenyl)methyl]-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide
CID 75140862
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 93324056

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide?
The IUPAC name of 2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide (CID 42848178) is 2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide?
The canonical SMILES for 2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide is O=C(NC1CCN(c2ccccc2C(=O)NCc2cccc(F)c2)CC1)c1ccc(F)cc1.
What is the InChIKey of 2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide?
The InChIKey is ATIJLRPZLWLSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N3O2/c27-20-10-8-19(9-11-20)25(32)30-22-12-14-31(15-13-22)24-7-2-1-6-23(24)26(33)29-17-18-4-3-5-21(28)16-18/h1-11,16,22H,12-15,17H2,(H,29,33)(H,30,32).
What are the key properties of 2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide?
2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide has a molecular weight of 449.50 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 42848178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).