N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide

C21H23N3OS — CID 133356392

IUPACN-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3ccnc4ccsc34)CC2)cc1
InChIInChI=1S/C21H23N3OS/c1-15-2-4-16(5-3-15)14-23-21(25)17-7-11-24(12-8-17)19-6-10-22-18-9-13-26-20(18)19/h2-6,9-10,13,17H,7-8,11-12,14H2,1H3,(H,23,25)
InChIKeyMWNFODPRADMPAL-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.14
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide

N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide (PubChem CID 133356392) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide
PubChem CID133356392
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC NameN-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3ccnc4ccsc34)CC2)cc1
InChIInChI=1S/C21H23N3OS/c1-15-2-4-16(5-3-15)14-23-21(25)17-7-11-24(12-8-17)19-6-10-22-18-9-13-26-20(18)19/h2-6,9-10,13,17H,7-8,11-12,14H2,1H3,(H,23,25)
InChIKeyMWNFODPRADMPAL-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide
CID 133318641
N-[(3-fluoro-4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide
CID 133317132
1-(6-chloroquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356365
1-(7-chloroquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356339
N-[(4-methylphenyl)methyl]-1-[3-[(4-methylphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-4-carboxamide
CID 50843153
N-[(4-methylphenyl)methyl]-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide
CID 133356434
1-(5-phenylthieno[3,2-b]pyridin-7-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 18465159
N,N-dimethyl-2-(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)acetamide
CID 136522053
4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784141
1-(6-fluoro-2-methylquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133368551
1-(6-fluoroquinolin-4-yl)-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
CID 91952377
1-(6-chloro-2-methylpyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356405

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide (CID 133356392) is N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(c3ccnc4ccsc34)CC2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide?
The InChIKey is MWNFODPRADMPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-15-2-4-16(5-3-15)14-23-21(25)17-7-11-24(12-8-17)19-6-10-22-18-9-13-26-20(18)19/h2-6,9-10,13,17H,7-8,11-12,14H2,1H3,(H,23,25).
What are the key properties of N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide?
N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide is sourced from PubChem (CID 133356392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).