N-[3-(2-methylpiperidin-1-yl)propyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide

C22H32N4OS — CID 46395530

IUPACN-[3-(2-methylpiperidin-1-yl)propyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide
SMILESCC1CCCCN1CCCNC(=O)C1CCN(c2nccc3sccc23)CC1
InChIInChI=1S/C22H32N4OS/c1-17-5-2-3-12-25(17)13-4-10-24-22(27)18-7-14-26(15-8-18)21-19-9-16-28-20(19)6-11-23-21/h6,9,11,16-18H,2-5,7-8,10,12-15H2,1H3,(H,24,27)
InChIKeyUIFALMFDLAPKML-UHFFFAOYSA-N
MW400.59 g/mol
LogP3.89
Rot. Bonds6

About N-[3-(2-methylpiperidin-1-yl)propyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide

N-[3-(2-methylpiperidin-1-yl)propyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide (PubChem CID 46395530) has the molecular formula C22H32N4OS and a molecular weight of 400.59 g/mol. Its IUPAC name is N-[3-(2-methylpiperidin-1-yl)propyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methylpiperidin-1-yl)propyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide
PubChem CID46395530
Molecular FormulaC22H32N4OS
Molecular Weight400.59 g/mol
Exact Mass400.23
IUPAC NameN-[3-(2-methylpiperidin-1-yl)propyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide
SMILESCC1CCCCN1CCCNC(=O)C1CCN(c2nccc3sccc23)CC1
InChIInChI=1S/C22H32N4OS/c1-17-5-2-3-12-25(17)13-4-10-24-22(27)18-7-14-26(15-8-18)21-19-9-16-28-20(19)6-11-23-21/h6,9,11,16-18H,2-5,7-8,10,12-15H2,1H3,(H,24,27)
InChIKeyUIFALMFDLAPKML-UHFFFAOYSA-N
XLogP3.89
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.59
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-pentyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide
CID 46395507
N-[3-(2-methylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384778
N-cyclopropyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide
CID 163345555
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 20929284
1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide
CID 155980991
N-[2-(2-methylpiperidin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 20952073
N-[3-(2-methylpiperidin-1-yl)propyl]-2-thiophen-2-ylpyridine-4-carboxamide
CID 53036766
1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 92898904
1-(4-chlorobenzoyl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 9473017
1-(4-fluorobenzoyl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 39965506
N-methyl-N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]cyclobutanecarboxamide
CID 171335899

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpiperidin-1-yl)propyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(2-methylpiperidin-1-yl)propyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide (CID 46395530) is N-[3-(2-methylpiperidin-1-yl)propyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(2-methylpiperidin-1-yl)propyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(2-methylpiperidin-1-yl)propyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide is CC1CCCCN1CCCNC(=O)C1CCN(c2nccc3sccc23)CC1.
What is the InChIKey of N-[3-(2-methylpiperidin-1-yl)propyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide?
The InChIKey is UIFALMFDLAPKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4OS/c1-17-5-2-3-12-25(17)13-4-10-24-22(27)18-7-14-26(15-8-18)21-19-9-16-28-20(19)6-11-23-21/h6,9,11,16-18H,2-5,7-8,10,12-15H2,1H3,(H,24,27).
What are the key properties of N-[3-(2-methylpiperidin-1-yl)propyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide?
N-[3-(2-methylpiperidin-1-yl)propyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide has a molecular weight of 400.59 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpiperidin-1-yl)propyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 46395530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).