(3R)-1-propanoyl-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide

C23H30N2O2S — CID 92585183

IUPAC(3R)-1-propanoyl-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCCC(=O)N1CCC[C@](Cc2ccccc2-c2cccs2)(C(=O)NC(C)C)C1
InChIInChI=1S/C23H30N2O2S/c1-4-21(26)25-13-8-12-23(16-25,22(27)24-17(2)3)15-18-9-5-6-10-19(18)20-11-7-14-28-20/h5-7,9-11,14,17H,4,8,12-13,15-16H2,1-3H3,(H,24,27)/t23-/m1/s1
InChIKeyOZPJJVQELIYPED-HSZRJFAPSA-N
MW398.57 g/mol
LogP4.50
Rot. Bonds6

About (3R)-1-propanoyl-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide

(3R)-1-propanoyl-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92585183) has the molecular formula C23H30N2O2S and a molecular weight of 398.57 g/mol. Its IUPAC name is (3R)-1-propanoyl-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-propanoyl-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID92585183
Molecular FormulaC23H30N2O2S
Molecular Weight398.57 g/mol
Exact Mass398.20
IUPAC Name(3R)-1-propanoyl-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCCC(=O)N1CCC[C@](Cc2ccccc2-c2cccs2)(C(=O)NC(C)C)C1
InChIInChI=1S/C23H30N2O2S/c1-4-21(26)25-13-8-12-23(16-25,22(27)24-17(2)3)15-18-9-5-6-10-19(18)20-11-7-14-28-20/h5-7,9-11,14,17H,4,8,12-13,15-16H2,1-3H3,(H,24,27)/t23-/m1/s1
InChIKeyOZPJJVQELIYPED-HSZRJFAPSA-N
XLogP4.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.57
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-benzoyl-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579913
(3S)-1-benzoyl-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579912
N-ethyl-1-(2-methoxyacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231946
(3R)-1-[2-(methanesulfonamido)acetyl]-N-methyl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 95850933
(3R)-1-(oxan-4-yl)-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579684
(3R)-N-propan-2-yl-1-(pyridin-4-ylmethyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92580035
(3S)-N-methyl-1-(2-pyridin-2-ylacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609438
(3S)-1-[(2-aminopyrimidin-5-yl)methyl]-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579701
1-(cyclobutanecarbonyl)-N-ethyl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231947
(3S)-N-methyl-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92583432
N-methyl-3-[(2-thiophen-2-ylphenyl)methyl]-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide
CID 110231925
(3S)-1-(3,3-dimethylbutanoyl)-N-propan-2-yl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579621

Frequently Asked Questions

What is the IUPAC name of (3R)-1-propanoyl-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-propanoyl-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide (CID 92585183) is (3R)-1-propanoyl-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-propanoyl-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-propanoyl-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide is CCC(=O)N1CCC[C@](Cc2ccccc2-c2cccs2)(C(=O)NC(C)C)C1.
What is the InChIKey of (3R)-1-propanoyl-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is OZPJJVQELIYPED-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H30N2O2S/c1-4-21(26)25-13-8-12-23(16-25,22(27)24-17(2)3)15-18-9-5-6-10-19(18)20-11-7-14-28-20/h5-7,9-11,14,17H,4,8,12-13,15-16H2,1-3H3,(H,24,27)/t23-/m1/s1.
What are the key properties of (3R)-1-propanoyl-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
(3R)-1-propanoyl-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 398.57 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-propanoyl-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92585183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).