(3S)-1-(2-pyridin-3-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide

C24H25N3O2S — CID 92569671

IUPAC(3S)-1-(2-pyridin-3-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
SMILESNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)Cc2cccnc2)C1
InChIInChI=1S/C24H25N3O2S/c25-23(29)24(15-18-5-1-7-20(13-18)21-8-3-12-30-21)9-4-11-27(17-24)22(28)14-19-6-2-10-26-16-19/h1-3,5-8,10,12-13,16H,4,9,11,14-15,17H2,(H2,25,29)/t24-/m0/s1
InChIKeyWZJMSXOVCUZLHT-DEOSSOPVSA-N
MW419.55 g/mol
LogP3.69
Rot. Bonds6

About (3S)-1-(2-pyridin-3-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide

(3S)-1-(2-pyridin-3-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92569671) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is (3S)-1-(2-pyridin-3-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-pyridin-3-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID92569671
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC Name(3S)-1-(2-pyridin-3-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
SMILESNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)Cc2cccnc2)C1
InChIInChI=1S/C24H25N3O2S/c25-23(29)24(15-18-5-1-7-20(13-18)21-8-3-12-30-21)9-4-11-27(17-24)22(28)14-19-6-2-10-26-16-19/h1-3,5-8,10,12-13,16H,4,9,11,14-15,17H2,(H2,25,29)/t24-/m0/s1
InChIKeyWZJMSXOVCUZLHT-DEOSSOPVSA-N
XLogP3.69
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(2-pyridin-3-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92569670
(3S)-1-butanoyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92586379
(3R)-1-(cyclobutanecarbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92569662
(3S)-1-[(1R,2R)-2-methylcyclopropanecarbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92583406
1-(2,4-dimethylpyrimidine-5-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232283
(3R)-N,N-dimethyl-1-(pyridine-3-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92605013
(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxamide
CID 92573903
(3S)-N,N-dimethyl-1-(2-pyridin-2-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92604934
(3R)-N-methyl-1-(2-pyridin-2-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609435
(3R)-1-[(2R)-oxolane-2-carbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92569685
(3S)-1-butanoyl-3-[(4-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92586361
(3R)-1-(cyclohexanecarbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92569632

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-pyridin-3-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-pyridin-3-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide (CID 92569671) is (3S)-1-(2-pyridin-3-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-pyridin-3-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-pyridin-3-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide is NC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)Cc2cccnc2)C1.
What is the InChIKey of (3S)-1-(2-pyridin-3-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is WZJMSXOVCUZLHT-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H25N3O2S/c25-23(29)24(15-18-5-1-7-20(13-18)21-8-3-12-30-21)9-4-11-27(17-24)22(28)14-19-6-2-10-26-16-19/h1-3,5-8,10,12-13,16H,4,9,11,14-15,17H2,(H2,25,29)/t24-/m0/s1.
What are the key properties of (3S)-1-(2-pyridin-3-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
(3S)-1-(2-pyridin-3-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-pyridin-3-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92569671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).