2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-2-methylbutyl]benzamide

C24H30FN3O2 — CID 93324251

IUPAC2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-2-methylbutyl]benzamide
SMILESCC[C@H](C)CNC(=O)c1ccccc1N1CCC(NC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C24H30FN3O2/c1-3-17(2)16-26-24(30)21-9-4-5-10-22(21)28-13-11-20(12-14-28)27-23(29)18-7-6-8-19(25)15-18/h4-10,15,17,20H,3,11-14,16H2,1-2H3,(H,26,30)(H,27,29)/t17-/m0/s1
InChIKeyPIJQTKSFIYCBOR-KRWDZBQOSA-N
MW411.52 g/mol
LogP4.00
Rot. Bonds7

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

2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-2-methylbutyl]benzamide (PubChem CID 93324251) has the molecular formula C24H30FN3O2 and a molecular weight of 411.52 g/mol. Its IUPAC name is 2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-2-methylbutyl]benzamide.

Molecular Properties

Compound Name2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-2-methylbutyl]benzamide
PubChem CID93324251
Molecular FormulaC24H30FN3O2
Molecular Weight411.52 g/mol
Exact Mass411.23
IUPAC Name2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-2-methylbutyl]benzamide
SMILESCC[C@H](C)CNC(=O)c1ccccc1N1CCC(NC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C24H30FN3O2/c1-3-17(2)16-26-24(30)21-9-4-5-10-22(21)28-13-11-20(12-14-28)27-23(29)18-7-6-8-19(25)15-18/h4-10,15,17,20H,3,11-14,16H2,1-2H3,(H,26,30)(H,27,29)/t17-/m0/s1
InChIKeyPIJQTKSFIYCBOR-KRWDZBQOSA-N
XLogP4.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-bromobenzoyl)amino]piperidin-1-yl]-N-(2-methylbutyl)benzamide
CID 46037660
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 93324056
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-(3-methylbutan-2-yl)benzamide
CID 46037800
2-methyl-N-[1-[2-[[(2R)-2-methylbutyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
CID 93291034
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide
CID 93324162
N-[3-(dimethylamino)propyl]-2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]benzamide
CID 42848136
N-[1-[2-[[(2S)-2-methylbutyl]carbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 93324323
N-(2-methylbutyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide
CID 75140863
2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide
CID 42848178
2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide
CID 46037432
2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 93324177
3,5-difluoro-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
CID 93324204

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-2-methylbutyl]benzamide?
The IUPAC name of 2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-2-methylbutyl]benzamide (CID 93324251) is 2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-2-methylbutyl]benzamide.
What is the SMILES notation for 2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-2-methylbutyl]benzamide?
The canonical SMILES for 2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-2-methylbutyl]benzamide is CC[C@H](C)CNC(=O)c1ccccc1N1CCC(NC(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-2-methylbutyl]benzamide?
The InChIKey is PIJQTKSFIYCBOR-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H30FN3O2/c1-3-17(2)16-26-24(30)21-9-4-5-10-22(21)28-13-11-20(12-14-28)27-23(29)18-7-6-8-19(25)15-18/h4-10,15,17,20H,3,11-14,16H2,1-2H3,(H,26,30)(H,27,29)/t17-/m0/s1.
What are the key properties of 2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-2-methylbutyl]benzamide?
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-2-methylbutyl]benzamide has a molecular weight of 411.52 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-2-methylbutyl]benzamide is sourced from PubChem (CID 93324251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).