N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide

C22H30N4OS — CID 155947567

IUPACN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESCC(CNC(=O)C1CCCN(Cc2cccnc2)C1)N1CCc2sccc2C1
InChIInChI=1S/C22H30N4OS/c1-17(26-10-6-21-19(16-26)7-11-28-21)12-24-22(27)20-5-3-9-25(15-20)14-18-4-2-8-23-13-18/h2,4,7-8,11,13,17,20H,3,5-6,9-10,12,14-16H2,1H3,(H,24,27)
InChIKeyMCCNYDZGQJKHFL-UHFFFAOYSA-N
MW398.58 g/mol
LogP2.92
Rot. Bonds6

About N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 155947567) has the molecular formula C22H30N4OS and a molecular weight of 398.58 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
PubChem CID155947567
Molecular FormulaC22H30N4OS
Molecular Weight398.58 g/mol
Exact Mass398.21
IUPAC NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESCC(CNC(=O)C1CCCN(Cc2cccnc2)C1)N1CCc2sccc2C1
InChIInChI=1S/C22H30N4OS/c1-17(26-10-6-21-19(16-26)7-11-28-21)12-24-22(27)20-5-3-9-25(15-20)14-18-4-2-8-23-13-18/h2,4,7-8,11,13,17,20H,3,5-6,9-10,12,14-16H2,1H3,(H,24,27)
InChIKeyMCCNYDZGQJKHFL-UHFFFAOYSA-N
XLogP2.92
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.58
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(pyridin-3-ylmethyl)urea
CID 94027060
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(2-pyridin-3-ylethyl)urea
CID 51078480
(3S)-N-[(1S)-1-(4-bromophenyl)ethyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95275460
N-[1-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 154766014
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 75493563
[(2R)-2-(1-hydroxyethyl)pyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone
CID 126837846
(2R)-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide
CID 97215175
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 46414041
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]piperidine-4-carboxamide
CID 46400310
1-acetyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide
CID 112827014
(3R)-N-(2-methylsulfonylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96573894
[(2R)-2,4-dimethylpiperazin-1-yl]-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone
CID 124856003

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide (CID 155947567) is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide is CC(CNC(=O)C1CCCN(Cc2cccnc2)C1)N1CCc2sccc2C1.
What is the InChIKey of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is MCCNYDZGQJKHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4OS/c1-17(26-10-6-21-19(16-26)7-11-28-21)12-24-22(27)20-5-3-9-25(15-20)14-18-4-2-8-23-13-18/h2,4,7-8,11,13,17,20H,3,5-6,9-10,12,14-16H2,1H3,(H,24,27).
What are the key properties of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 398.58 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 155947567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).