1-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

C21H34N4OS — CID 24790340

IUPAC1-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCSCC(C)N1CCC(N2CCC(C(=O)NCc3ccccn3)CC2)CC1
InChIInChI=1S/C21H34N4OS/c1-17(16-27-2)24-13-8-20(9-14-24)25-11-6-18(7-12-25)21(26)23-15-19-5-3-4-10-22-19/h3-5,10,17-18,20H,6-9,11-16H2,1-2H3,(H,23,26)
InChIKeyAQALSBPACQYNOC-UHFFFAOYSA-N
MW390.60 g/mol
LogP2.63
Rot. Bonds7

About 1-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

1-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 24790340) has the molecular formula C21H34N4OS and a molecular weight of 390.60 g/mol. Its IUPAC name is 1-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID24790340
Molecular FormulaC21H34N4OS
Molecular Weight390.60 g/mol
Exact Mass390.25
IUPAC Name1-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCSCC(C)N1CCC(N2CCC(C(=O)NCc3ccccn3)CC2)CC1
InChIInChI=1S/C21H34N4OS/c1-17(16-27-2)24-13-8-20(9-14-24)25-11-6-18(7-12-25)21(26)23-15-19-5-3-4-10-22-19/h3-5,10,17-18,20H,6-9,11-16H2,1-2H3,(H,23,26)
InChIKeyAQALSBPACQYNOC-UHFFFAOYSA-N
XLogP2.63
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.60
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 24790340) is 1-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is CSCC(C)N1CCC(N2CCC(C(=O)NCc3ccccn3)CC2)CC1.
What is the InChIKey of 1-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is AQALSBPACQYNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4OS/c1-17(16-27-2)24-13-8-20(9-14-24)25-11-6-18(7-12-25)21(26)23-15-19-5-3-4-10-22-19/h3-5,10,17-18,20H,6-9,11-16H2,1-2H3,(H,23,26).
What are the key properties of 1-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
1-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 390.60 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 24790340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).