(3R)-1-(3-fluorobenzoyl)-N,N-dimethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide

C25H26FN3O3 — CID 95855491

IUPAC(3R)-1-(3-fluorobenzoyl)-N,N-dimethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCN(C)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)c2cccc(F)c2)C1
InChIInChI=1S/C25H26FN3O3/c1-28(2)24(31)25(16-21-15-22(27-32-21)18-8-4-3-5-9-18)12-7-13-29(17-25)23(30)19-10-6-11-20(26)14-19/h3-6,8-11,14-15H,7,12-13,16-17H2,1-2H3/t25-/m1/s1
InChIKeyYMTAMFUNMBTGSU-RUZDIDTESA-N
MW435.50 g/mol
LogP4.03
Rot. Bonds5

About (3R)-1-(3-fluorobenzoyl)-N,N-dimethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide

(3R)-1-(3-fluorobenzoyl)-N,N-dimethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 95855491) has the molecular formula C25H26FN3O3 and a molecular weight of 435.50 g/mol. Its IUPAC name is (3R)-1-(3-fluorobenzoyl)-N,N-dimethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3-fluorobenzoyl)-N,N-dimethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
PubChem CID95855491
Molecular FormulaC25H26FN3O3
Molecular Weight435.50 g/mol
Exact Mass435.20
IUPAC Name(3R)-1-(3-fluorobenzoyl)-N,N-dimethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCN(C)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)c2cccc(F)c2)C1
InChIInChI=1S/C25H26FN3O3/c1-28(2)24(31)25(16-21-15-22(27-32-21)18-8-4-3-5-9-18)12-7-13-29(17-25)23(30)19-10-6-11-20(26)14-19/h3-6,8-11,14-15H,7,12-13,16-17H2,1-2H3/t25-/m1/s1
InChIKeyYMTAMFUNMBTGSU-RUZDIDTESA-N
XLogP4.03
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-1-(3-fluorobenzoyl)-N,N-dimethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

N,N-dimethyl-1-(2-methylpropanoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 110236576
(3R)-N,N-dimethyl-1-(5-methylpyrazine-2-carbonyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 95855549
(3S)-1-(2-methoxybenzoyl)-N,N-dimethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 95855498
(3R)-1-(2-methoxybenzoyl)-N,N-dimethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 95855499
(3R)-N,N-dimethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide
CID 95855552
(3R)-N-ethyl-1-(3-methoxybenzoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 95855453
(3R)-N,N-dimethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 51585867
(3S)-N,N-dimethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 51585866
N,N-dimethyl-1-(3-methylbutanoyl)-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
CID 46974062
ethyl 3-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridine-2-carbonyl)piperidine-3-carboxylate
CID 110234228
(3R)-1-(2-cyclopentylacetyl)-N,N-dimethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
CID 95855544
(3S)-1-(3-fluorobenzoyl)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-3-carboxamide
CID 92605392

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-fluorobenzoyl)-N,N-dimethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(3-fluorobenzoyl)-N,N-dimethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide (CID 95855491) is (3R)-1-(3-fluorobenzoyl)-N,N-dimethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3-fluorobenzoyl)-N,N-dimethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3-fluorobenzoyl)-N,N-dimethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide is CN(C)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)c2cccc(F)c2)C1.
What is the InChIKey of (3R)-1-(3-fluorobenzoyl)-N,N-dimethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is YMTAMFUNMBTGSU-RUZDIDTESA-N. The full InChI is InChI=1S/C25H26FN3O3/c1-28(2)24(31)25(16-21-15-22(27-32-21)18-8-4-3-5-9-18)12-7-13-29(17-25)23(30)19-10-6-11-20(26)14-19/h3-6,8-11,14-15H,7,12-13,16-17H2,1-2H3/t25-/m1/s1.
What are the key properties of (3R)-1-(3-fluorobenzoyl)-N,N-dimethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?
(3R)-1-(3-fluorobenzoyl)-N,N-dimethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 435.50 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-fluorobenzoyl)-N,N-dimethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 95855491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).