(3R)-3-amino-N-(1,4-dibenzylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide

C29H34FN3O — CID 44589878

IUPAC(3R)-3-amino-N-(1,4-dibenzylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide
SMILESN[C@@H](CC(=O)NC1(Cc2ccccc2)CCN(Cc2ccccc2)CC1)Cc1ccccc1F
InChIInChI=1S/C29H34FN3O/c30-27-14-8-7-13-25(27)19-26(31)20-28(34)32-29(21-23-9-3-1-4-10-23)15-17-33(18-16-29)22-24-11-5-2-6-12-24/h1-14,26H,15-22,31H2,(H,32,34)/t26-/m1/s1
InChIKeyNTDATDSIMCFNCT-AREMUKBSSA-N
MW459.61 g/mol
LogP4.48
Rot. Bonds9

About (3R)-3-amino-N-(1,4-dibenzylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide

(3R)-3-amino-N-(1,4-dibenzylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide (PubChem CID 44589878) has the molecular formula C29H34FN3O and a molecular weight of 459.61 g/mol. Its IUPAC name is (3R)-3-amino-N-(1,4-dibenzylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide.

Molecular Properties

Compound Name(3R)-3-amino-N-(1,4-dibenzylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide
PubChem CID44589878
Molecular FormulaC29H34FN3O
Molecular Weight459.61 g/mol
Exact Mass459.27
IUPAC Name(3R)-3-amino-N-(1,4-dibenzylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide
SMILESN[C@@H](CC(=O)NC1(Cc2ccccc2)CCN(Cc2ccccc2)CC1)Cc1ccccc1F
InChIInChI=1S/C29H34FN3O/c30-27-14-8-7-13-25(27)19-26(31)20-28(34)32-29(21-23-9-3-1-4-10-23)15-17-33(18-16-29)22-24-11-5-2-6-12-24/h1-14,26H,15-22,31H2,(H,32,34)/t26-/m1/s1
InChIKeyNTDATDSIMCFNCT-AREMUKBSSA-N
XLogP4.48
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.61
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Benzhydrylpiperazin-1-yl)(cyclohexyl)methanone
CID 994313
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-diphenylacetamide
CID 9950970
2-(3,5-Bis-trifluoromethyl-phenyl)-N-[4-(4-isopropyl-piperazin-1-yl)-1-phenyl-cyclohexyl]-propionamide
CID 10210026
2-(3,5-Bis-trifluoromethyl-phenyl)-N-{4-[4-(4-fluoro-phenyl)-piperidin-1-yl]-1-phenyl-cyclohexyl}-propionamide
CID 10258336
3-[[3-(dimethylamino)propyl-methylamino]methyl]-N-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]benzamide
CID 11535362
2-(3,5-Bis-trifluoromethyl-phenyl)-N-{4-[4-(4-fluoro-phenyl)-piperidin-1-yl]-1-phenyl-cyclohexyl}-acetamide
CID 21955298
N-(N-benzylpiperidin-4-yl)-2-fluorobenzamide
CID 825648
2,6-Di(phenyl)-4-piperidone
CID 2828708
(4R,5R)-5-amino-1-benzyl-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16204463
N-benzyl-4-phenyl-1-[4-(propan-2-yl)cyclohexyl]piperidine-4-carboxamide
CID 24776412
(+/-)-threo-N-Benzylmethylphenidate amide
CID 52946374
(S)-N-(3-(4-(2-(4-fluorophenyl)acetamido)piperidin-1-yl)-1-phenylpropyl)cyclobutanecarboxamide
CID 44415755

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-N-(1,4-dibenzylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide?
The IUPAC name of (3R)-3-amino-N-(1,4-dibenzylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide (CID 44589878) is (3R)-3-amino-N-(1,4-dibenzylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide.
What is the SMILES notation for (3R)-3-amino-N-(1,4-dibenzylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide?
The canonical SMILES for (3R)-3-amino-N-(1,4-dibenzylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide is N[C@@H](CC(=O)NC1(Cc2ccccc2)CCN(Cc2ccccc2)CC1)Cc1ccccc1F.
What is the InChIKey of (3R)-3-amino-N-(1,4-dibenzylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide?
The InChIKey is NTDATDSIMCFNCT-AREMUKBSSA-N. The full InChI is InChI=1S/C29H34FN3O/c30-27-14-8-7-13-25(27)19-26(31)20-28(34)32-29(21-23-9-3-1-4-10-23)15-17-33(18-16-29)22-24-11-5-2-6-12-24/h1-14,26H,15-22,31H2,(H,32,34)/t26-/m1/s1.
What are the key properties of (3R)-3-amino-N-(1,4-dibenzylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide?
(3R)-3-amino-N-(1,4-dibenzylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide has a molecular weight of 459.61 g/mol, XLogP of 4.48, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-N-(1,4-dibenzylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide is sourced from PubChem (CID 44589878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).