2-[4-(3,3-dimethylbutanoylamino)piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide

C25H32FN3O2 — CID 42848187

IUPAC2-[4-(3,3-dimethylbutanoylamino)piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide
SMILESCC(C)(C)CC(=O)NC1CCN(c2ccccc2C(=O)NCc2cccc(F)c2)CC1
InChIInChI=1S/C25H32FN3O2/c1-25(2,3)16-23(30)28-20-11-13-29(14-12-20)22-10-5-4-9-21(22)24(31)27-17-18-7-6-8-19(26)15-18/h4-10,15,20H,11-14,16-17H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyFLQVXZXRYXMCOS-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.28
Rot. Bonds6

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

2-[4-(3,3-dimethylbutanoylamino)piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide (PubChem CID 42848187) has the molecular formula C25H32FN3O2 and a molecular weight of 425.55 g/mol. Its IUPAC name is 2-[4-(3,3-dimethylbutanoylamino)piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name2-[4-(3,3-dimethylbutanoylamino)piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide
PubChem CID42848187
Molecular FormulaC25H32FN3O2
Molecular Weight425.55 g/mol
Exact Mass425.25
IUPAC Name2-[4-(3,3-dimethylbutanoylamino)piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide
SMILESCC(C)(C)CC(=O)NC1CCN(c2ccccc2C(=O)NCc2cccc(F)c2)CC1
InChIInChI=1S/C25H32FN3O2/c1-25(2,3)16-23(30)28-20-11-13-29(14-12-20)22-10-5-4-9-21(22)24(31)27-17-18-7-6-8-19(26)15-18/h4-10,15,20H,11-14,16-17H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyFLQVXZXRYXMCOS-UHFFFAOYSA-N
XLogP4.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3,3-dimethylbutanoylamino)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]benzamide
CID 46037577
N-[(3-fluorophenyl)methyl]-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide
CID 42848180
2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide
CID 42848178
N-[(3-fluorophenyl)methyl]-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide
CID 42848467
N-[(3-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide
CID 46038594
N-[(4-fluorophenyl)methyl]-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide
CID 46037582
N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-3,3-dimethylbutanamide
CID 110822684
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide
CID 110822279
N-[(4-fluorophenyl)methyl]-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide
CID 75140862
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
N-(2-methoxyethyl)-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide
CID 42847988

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3-dimethylbutanoylamino)piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide?
The IUPAC name of 2-[4-(3,3-dimethylbutanoylamino)piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide (CID 42848187) is 2-[4-(3,3-dimethylbutanoylamino)piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 2-[4-(3,3-dimethylbutanoylamino)piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide?
The canonical SMILES for 2-[4-(3,3-dimethylbutanoylamino)piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide is CC(C)(C)CC(=O)NC1CCN(c2ccccc2C(=O)NCc2cccc(F)c2)CC1.
What is the InChIKey of 2-[4-(3,3-dimethylbutanoylamino)piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide?
The InChIKey is FLQVXZXRYXMCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O2/c1-25(2,3)16-23(30)28-20-11-13-29(14-12-20)22-10-5-4-9-21(22)24(31)27-17-18-7-6-8-19(26)15-18/h4-10,15,20H,11-14,16-17H2,1-3H3,(H,27,31)(H,28,30).
What are the key properties of 2-[4-(3,3-dimethylbutanoylamino)piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide?
2-[4-(3,3-dimethylbutanoylamino)piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide has a molecular weight of 425.55 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3-dimethylbutanoylamino)piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 42848187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).