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

C22H25N3OS — CID 92899054

IUPAC(3S)-N-[(4-ethylphenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
SMILESCCc1ccc(CNC(=O)[C@H]2CCCN(c3nccc4sccc34)C2)cc1
InChIInChI=1S/C22H25N3OS/c1-2-16-5-7-17(8-6-16)14-24-22(26)18-4-3-12-25(15-18)21-19-10-13-27-20(19)9-11-23-21/h5-11,13,18H,2-4,12,14-15H2,1H3,(H,24,26)/t18-/m0/s1
InChIKeySIUJUTUXCPZBLG-SFHVURJKSA-N
MW379.53 g/mol
LogP4.39
Rot. Bonds5

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

(3S)-N-[(4-ethylphenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide (PubChem CID 92899054) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is (3S)-N-[(4-ethylphenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(4-ethylphenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
PubChem CID92899054
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC Name(3S)-N-[(4-ethylphenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
SMILESCCc1ccc(CNC(=O)[C@H]2CCCN(c3nccc4sccc34)C2)cc1
InChIInChI=1S/C22H25N3OS/c1-2-16-5-7-17(8-6-16)14-24-22(26)18-4-3-12-25(15-18)21-19-10-13-27-20(19)9-11-23-21/h5-11,13,18H,2-4,12,14-15H2,1H3,(H,24,26)/t18-/m0/s1
InChIKeySIUJUTUXCPZBLG-SFHVURJKSA-N
XLogP4.39
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-thieno[3,2-c]pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 92899036
(3R)-1-thieno[3,2-c]pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 92899035
N-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 50839572
(3R)-N-(3-ethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 92885146
1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 172899862
N-(4-ethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide
CID 46395494
(3S)-N-(3,4-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 92885123
(3R)-N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
CID 92885044
N-(2,3-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 46396524
N-[(3,5-difluorophenyl)methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
CID 50839609
(4-benzylpiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone
CID 46396546
N-(3,4-difluorophenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 46396555

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(4-ethylphenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(4-ethylphenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide (CID 92899054) is (3S)-N-[(4-ethylphenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(4-ethylphenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(4-ethylphenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide is CCc1ccc(CNC(=O)[C@H]2CCCN(c3nccc4sccc34)C2)cc1.
What is the InChIKey of (3S)-N-[(4-ethylphenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide?
The InChIKey is SIUJUTUXCPZBLG-SFHVURJKSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-2-16-5-7-17(8-6-16)14-24-22(26)18-4-3-12-25(15-18)21-19-10-13-27-20(19)9-11-23-21/h5-11,13,18H,2-4,12,14-15H2,1H3,(H,24,26)/t18-/m0/s1.
What are the key properties of (3S)-N-[(4-ethylphenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide?
(3S)-N-[(4-ethylphenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(4-ethylphenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide is sourced from PubChem (CID 92899054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).