(3R)-3-amino-N-(1-benzyl-4-phenylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide

C28H32FN3O — CID 44589877

IUPAC(3R)-3-amino-N-(1-benzyl-4-phenylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide
SMILESN[C@@H](CC(=O)NC1(c2ccccc2)CCN(Cc2ccccc2)CC1)Cc1ccccc1F
InChIInChI=1S/C28H32FN3O/c29-26-14-8-7-11-23(26)19-25(30)20-27(33)31-28(24-12-5-2-6-13-24)15-17-32(18-16-28)21-22-9-3-1-4-10-22/h1-14,25H,15-21,30H2,(H,31,33)/t25-/m1/s1
InChIKeyPKJYLMFSXBBDNQ-RUZDIDTESA-N
MW445.58 g/mol
LogP4.39
Rot. Bonds8

About (3R)-3-amino-N-(1-benzyl-4-phenylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide

(3R)-3-amino-N-(1-benzyl-4-phenylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide (PubChem CID 44589877) has the molecular formula C28H32FN3O and a molecular weight of 445.58 g/mol. Its IUPAC name is (3R)-3-amino-N-(1-benzyl-4-phenylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide.

Molecular Properties

Compound Name(3R)-3-amino-N-(1-benzyl-4-phenylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide
PubChem CID44589877
Molecular FormulaC28H32FN3O
Molecular Weight445.58 g/mol
Exact Mass445.25
IUPAC Name(3R)-3-amino-N-(1-benzyl-4-phenylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide
SMILESN[C@@H](CC(=O)NC1(c2ccccc2)CCN(Cc2ccccc2)CC1)Cc1ccccc1F
InChIInChI=1S/C28H32FN3O/c29-26-14-8-7-11-23(26)19-25(30)20-27(33)31-28(24-12-5-2-6-13-24)15-17-32(18-16-28)21-22-9-3-1-4-10-22/h1-14,25H,15-21,30H2,(H,31,33)/t25-/m1/s1
InChIKeyPKJYLMFSXBBDNQ-RUZDIDTESA-N
XLogP4.39
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.58
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-2-[(R)-3-amino-4-(2-fluorophenyl)butyryl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 5494385
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}-isobutyramide
CID 21955222
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
N-benzyl-2,2-diphenylacetamide
CID 349569
(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

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-N-(1-benzyl-4-phenylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide?
The IUPAC name of (3R)-3-amino-N-(1-benzyl-4-phenylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide (CID 44589877) is (3R)-3-amino-N-(1-benzyl-4-phenylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide.
What is the SMILES notation for (3R)-3-amino-N-(1-benzyl-4-phenylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide?
The canonical SMILES for (3R)-3-amino-N-(1-benzyl-4-phenylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide is N[C@@H](CC(=O)NC1(c2ccccc2)CCN(Cc2ccccc2)CC1)Cc1ccccc1F.
What is the InChIKey of (3R)-3-amino-N-(1-benzyl-4-phenylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide?
The InChIKey is PKJYLMFSXBBDNQ-RUZDIDTESA-N. The full InChI is InChI=1S/C28H32FN3O/c29-26-14-8-7-11-23(26)19-25(30)20-27(33)31-28(24-12-5-2-6-13-24)15-17-32(18-16-28)21-22-9-3-1-4-10-22/h1-14,25H,15-21,30H2,(H,31,33)/t25-/m1/s1.
What are the key properties of (3R)-3-amino-N-(1-benzyl-4-phenylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide?
(3R)-3-amino-N-(1-benzyl-4-phenylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide has a molecular weight of 445.58 g/mol, XLogP of 4.39, 8 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-benzyl-4-phenylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide is sourced from PubChem (CID 44589877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).