(3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-(5-methylthiophene-3-carbonyl)piperidine-3-carboxamide

C26H28N2O3S — CID 92602397

IUPAC(3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-(5-methylthiophene-3-carbonyl)piperidine-3-carboxamide
SMILESCOc1ccc(-c2ccc(C[C@]3(C(N)=O)CCCN(C(=O)c4csc(C)c4)C3)cc2)cc1
InChIInChI=1S/C26H28N2O3S/c1-18-14-22(16-32-18)24(29)28-13-3-12-26(17-28,25(27)30)15-19-4-6-20(7-5-19)21-8-10-23(31-2)11-9-21/h4-11,14,16H,3,12-13,15,17H2,1-2H3,(H2,27,30)/t26-/m1/s1
InChIKeyMYXPOARCHHEQRN-AREMUKBSSA-N
MW448.59 g/mol
LogP4.68
Rot. Bonds6

About (3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-(5-methylthiophene-3-carbonyl)piperidine-3-carboxamide

(3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-(5-methylthiophene-3-carbonyl)piperidine-3-carboxamide (PubChem CID 92602397) has the molecular formula C26H28N2O3S and a molecular weight of 448.59 g/mol. Its IUPAC name is (3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-(5-methylthiophene-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-(5-methylthiophene-3-carbonyl)piperidine-3-carboxamide
PubChem CID92602397
Molecular FormulaC26H28N2O3S
Molecular Weight448.59 g/mol
Exact Mass448.18
IUPAC Name(3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-(5-methylthiophene-3-carbonyl)piperidine-3-carboxamide
SMILESCOc1ccc(-c2ccc(C[C@]3(C(N)=O)CCCN(C(=O)c4csc(C)c4)C3)cc2)cc1
InChIInChI=1S/C26H28N2O3S/c1-18-14-22(16-32-18)24(29)28-13-3-12-26(17-28,25(27)30)15-19-4-6-20(7-5-19)21-8-10-23(31-2)11-9-21/h4-11,14,16H,3,12-13,15,17H2,1-2H3,(H2,27,30)/t26-/m1/s1
InChIKeyMYXPOARCHHEQRN-AREMUKBSSA-N
XLogP4.68
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-3-carboxamide
CID 110232632
(3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-3-carboxamide
CID 92596902
(3S)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-[(2R)-5-oxopyrrolidine-2-carbonyl]piperidine-3-carboxamide
CID 92596864
1-(3-methoxybenzoyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232160
(3R)-3-[[4-(4-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-3-carboxamide
CID 92558246
1-[(3,5-dimethoxyphenyl)methyl]-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232347
1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 69475295
(3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methyl-1-propanoylpiperidine-3-carboxamide
CID 92585095
(3S)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methyl-1-propanoylpiperidine-3-carboxamide
CID 92585094
3-[[4-(4-methylphenyl)phenyl]methyl]-1-(1H-1,2,4-triazole-5-carbonyl)piperidine-3-carboxamide
CID 110232533
1-(2-methoxyacetyl)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide
CID 110232610
(3R)-3-(cyclopropylmethyl)-1-(5-methylthiophene-3-carbonyl)piperidine-3-carboxylic acid
CID 97146289

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-(5-methylthiophene-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-(5-methylthiophene-3-carbonyl)piperidine-3-carboxamide (CID 92602397) is (3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-(5-methylthiophene-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-(5-methylthiophene-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-(5-methylthiophene-3-carbonyl)piperidine-3-carboxamide is COc1ccc(-c2ccc(C[C@]3(C(N)=O)CCCN(C(=O)c4csc(C)c4)C3)cc2)cc1.
What is the InChIKey of (3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-(5-methylthiophene-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is MYXPOARCHHEQRN-AREMUKBSSA-N. The full InChI is InChI=1S/C26H28N2O3S/c1-18-14-22(16-32-18)24(29)28-13-3-12-26(17-28,25(27)30)15-19-4-6-20(7-5-19)21-8-10-23(31-2)11-9-21/h4-11,14,16H,3,12-13,15,17H2,1-2H3,(H2,27,30)/t26-/m1/s1.
What are the key properties of (3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-(5-methylthiophene-3-carbonyl)piperidine-3-carboxamide?
(3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-(5-methylthiophene-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 448.59 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-(5-methylthiophene-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 92602397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).