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

C21H23N3OS — CID 92885123

IUPAC(3S)-N-(3,4-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCCN(c3nccc4sccc34)C2)cc1C
InChIInChI=1S/C21H23N3OS/c1-14-5-6-17(12-15(14)2)23-21(25)16-4-3-10-24(13-16)20-18-8-11-26-19(18)7-9-22-20/h5-9,11-12,16H,3-4,10,13H2,1-2H3,(H,23,25)/t16-/m0/s1
InChIKeySDDPBNOVGFUMQB-INIZCTEOSA-N
MW365.50 g/mol
LogP4.77
Rot. Bonds3

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

(3S)-N-(3,4-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide (PubChem CID 92885123) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is (3S)-N-(3,4-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3,4-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
PubChem CID92885123
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name(3S)-N-(3,4-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCCN(c3nccc4sccc34)C2)cc1C
InChIInChI=1S/C21H23N3OS/c1-14-5-6-17(12-15(14)2)23-21(25)16-4-3-10-24(13-16)20-18-8-11-26-19(18)7-9-22-20/h5-9,11-12,16H,3-4,10,13H2,1-2H3,(H,23,25)/t16-/m0/s1
InChIKeySDDPBNOVGFUMQB-INIZCTEOSA-N
XLogP4.77
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 46396555
(3R)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 92899043
(3R)-N-(3-ethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 92885146
N-(2,3-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 46396524
1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 172899862
N-(3,4-dimethylphenyl)-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 50834408
(3S)-N-[(4-ethylphenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 92899054
(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)-thiomorpholin-4-ylmethanone
CID 163346136
[4-(2-methylphenyl)piperazin-1-yl]-[(3S)-1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl]methanone
CID 92885175
N-(4-ethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide
CID 46395494
(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 92866258
(3S)-N-(3,4-dimethylphenyl)-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide
CID 92870513

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3,4-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3,4-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide (CID 92885123) is (3S)-N-(3,4-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3,4-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3,4-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide is Cc1ccc(NC(=O)[C@H]2CCCN(c3nccc4sccc34)C2)cc1C.
What is the InChIKey of (3S)-N-(3,4-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide?
The InChIKey is SDDPBNOVGFUMQB-INIZCTEOSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-14-5-6-17(12-15(14)2)23-21(25)16-4-3-10-24(13-16)20-18-8-11-26-19(18)7-9-22-20/h5-9,11-12,16H,3-4,10,13H2,1-2H3,(H,23,25)/t16-/m0/s1.
What are the key properties of (3S)-N-(3,4-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide?
(3S)-N-(3,4-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3,4-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide is sourced from PubChem (CID 92885123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).