(3R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-N-methyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide

C25H28N4O2S — CID 92594863

IUPAC(3R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-N-methyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCNC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)c2cnc(C)nc2C)C1
InChIInChI=1S/C25H28N4O2S/c1-17-21(15-27-18(2)28-17)23(30)29-11-6-10-25(16-29,24(31)26-3)14-19-7-4-8-20(13-19)22-9-5-12-32-22/h4-5,7-9,12-13,15H,6,10-11,14,16H2,1-3H3,(H,26,31)/t25-/m1/s1
InChIKeyVDDVMHDAKUYZKC-RUZDIDTESA-N
MW448.59 g/mol
LogP4.03
Rot. Bonds5

About (3R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-N-methyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide

(3R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-N-methyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92594863) has the molecular formula C25H28N4O2S and a molecular weight of 448.59 g/mol. Its IUPAC name is (3R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-N-methyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-N-methyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID92594863
Molecular FormulaC25H28N4O2S
Molecular Weight448.59 g/mol
Exact Mass448.19
IUPAC Name(3R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-N-methyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCNC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)c2cnc(C)nc2C)C1
InChIInChI=1S/C25H28N4O2S/c1-17-21(15-27-18(2)28-17)23(30)29-11-6-10-25(16-29,24(31)26-3)14-19-7-4-8-20(13-19)22-9-5-12-32-22/h4-5,7-9,12-13,15H,6,10-11,14,16H2,1-3H3,(H,26,31)/t25-/m1/s1
InChIKeyVDDVMHDAKUYZKC-RUZDIDTESA-N
XLogP4.03
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-N-methyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-dimethylpyrimidine-5-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232283
(3R)-N-methyl-1-(2-pyridin-2-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609435
N-methyl-1-(pyridine-3-carbonyl)-3-[(4-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232378
(3R)-N-methyl-1-(pyridine-3-carbonyl)-3-[(4-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609519
(3S)-1-(2,4-dimethylpyrimidine-5-carbonyl)-N-ethyl-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592487
(3S)-N-methyl-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-3-[(4-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92583392
(3S)-1-butanoyl-N-methyl-3-[(4-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92586365
(3R)-N,N-dimethyl-1-(pyridine-3-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92605013
3-[[3-(3-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 110232823
(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-methyl-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92605196
(3S)-1-[(1R,2R)-2-methylcyclopropanecarbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92583406
N-ethyl-1-(1-methylpyrazole-3-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229523

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-N-methyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-N-methyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide (CID 92594863) is (3R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-N-methyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-N-methyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-N-methyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide is CNC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)c2cnc(C)nc2C)C1.
What is the InChIKey of (3R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-N-methyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is VDDVMHDAKUYZKC-RUZDIDTESA-N. The full InChI is InChI=1S/C25H28N4O2S/c1-17-21(15-27-18(2)28-17)23(30)29-11-6-10-25(16-29,24(31)26-3)14-19-7-4-8-20(13-19)22-9-5-12-32-22/h4-5,7-9,12-13,15H,6,10-11,14,16H2,1-3H3,(H,26,31)/t25-/m1/s1.
What are the key properties of (3R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-N-methyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
(3R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-N-methyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 448.59 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-N-methyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92594863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).