(3R)-N-(3-ethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide

C21H23N3OS — CID 92885146

IUPAC(3R)-N-(3-ethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
SMILESCCc1cccc(NC(=O)[C@@H]2CCCN(c3nccc4sccc34)C2)c1
InChIInChI=1S/C21H23N3OS/c1-2-15-5-3-7-17(13-15)23-21(25)16-6-4-11-24(14-16)20-18-9-12-26-19(18)8-10-22-20/h3,5,7-10,12-13,16H,2,4,6,11,14H2,1H3,(H,23,25)/t16-/m1/s1
InChIKeyBZJNWYNGQSUOFI-MRXNPFEDSA-N
MW365.50 g/mol
LogP4.71
Rot. Bonds4

About (3R)-N-(3-ethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide

(3R)-N-(3-ethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide (PubChem CID 92885146) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is (3R)-N-(3-ethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-ethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
PubChem CID92885146
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name(3R)-N-(3-ethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
SMILESCCc1cccc(NC(=O)[C@@H]2CCCN(c3nccc4sccc34)C2)c1
InChIInChI=1S/C21H23N3OS/c1-2-15-5-3-7-17(13-15)23-21(25)16-6-4-11-24(14-16)20-18-9-12-26-19(18)8-10-22-20/h3,5,7-10,12-13,16H,2,4,6,11,14H2,1H3,(H,23,25)/t16-/m1/s1
InChIKeyBZJNWYNGQSUOFI-MRXNPFEDSA-N
XLogP4.71
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(3,4-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 92885123
(3S)-N-[(4-ethylphenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 92899054
N-(3,4-difluorophenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 46396555
N-(2,3-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 46396524
(3R)-N-(3-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877193
N-(4-ethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide
CID 46395494
(3S)-N-(3-ethylphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 95050447
(4-benzylpiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone
CID 46396546
1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 172899862
N-(3-ethylphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752892
N-(3-ethylphenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 20889425
(3S)-1-thieno[3,2-c]pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 92899036

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-ethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-ethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide (CID 92885146) is (3R)-N-(3-ethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-ethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-ethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide is CCc1cccc(NC(=O)[C@@H]2CCCN(c3nccc4sccc34)C2)c1.
What is the InChIKey of (3R)-N-(3-ethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide?
The InChIKey is BZJNWYNGQSUOFI-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-2-15-5-3-7-17(13-15)23-21(25)16-6-4-11-24(14-16)20-18-9-12-26-19(18)8-10-22-20/h3,5,7-10,12-13,16H,2,4,6,11,14H2,1H3,(H,23,25)/t16-/m1/s1.
What are the key properties of (3R)-N-(3-ethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide?
(3R)-N-(3-ethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-ethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide is sourced from PubChem (CID 92885146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).