1-[[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]methyl]pyrrolidin-2-one

C17H25N3OS — CID 70764539

IUPAC1-[[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESCSCc1ccc(N2CCC(CN3CCCC3=O)CC2)nc1
InChIInChI=1S/C17H25N3OS/c1-22-13-15-4-5-16(18-11-15)19-9-6-14(7-10-19)12-20-8-2-3-17(20)21/h4-5,11,14H,2-3,6-10,12-13H2,1H3
InChIKeyMEDIEBVDCZNGNI-UHFFFAOYSA-N
MW319.47 g/mol
LogP2.78
Rot. Bonds5

About 1-[[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]methyl]pyrrolidin-2-one

1-[[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]methyl]pyrrolidin-2-one (PubChem CID 70764539) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is 1-[[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]methyl]pyrrolidin-2-one
PubChem CID70764539
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC Name1-[[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESCSCc1ccc(N2CCC(CN3CCCC3=O)CC2)nc1
InChIInChI=1S/C17H25N3OS/c1-22-13-15-4-5-16(18-11-15)19-9-6-14(7-10-19)12-20-8-2-3-17(20)21/h4-5,11,14H,2-3,6-10,12-13H2,1H3
InChIKeyMEDIEBVDCZNGNI-UHFFFAOYSA-N
XLogP2.78
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one
CID 14554108
1-[[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one
CID 14554102
N,N-dimethyl-1-[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]ethanamine
CID 70771534
5-(methylsulfanylmethyl)-2-[(3R)-3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine
CID 96582044
5-(chloromethyl)-2-(4-propylpiperidin-1-yl)pyridine
CID 62206468
[6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]methanamine
CID 63007762
[6-(4-propylpiperidin-1-yl)-3-pyridinyl]methanol
CID 62205775
1-[(1-tert-butylpiperidin-4-yl)methyl]pyrrolidin-2-one
CID 59776829
1-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]piperidin-2-one
CID 133326124
1-[[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]piperidin-2-one
CID 136518385
8-[5-(methylsulfanylmethyl)-2-pyridinyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72880615
6-[4-[5-(methylsulfanylmethyl)-2-pyridinyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 154768884

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]methyl]pyrrolidin-2-one (CID 70764539) is 1-[[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]methyl]pyrrolidin-2-one is CSCc1ccc(N2CCC(CN3CCCC3=O)CC2)nc1.
What is the InChIKey of 1-[[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The InChIKey is MEDIEBVDCZNGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3OS/c1-22-13-15-4-5-16(18-11-15)19-9-6-14(7-10-19)12-20-8-2-3-17(20)21/h4-5,11,14H,2-3,6-10,12-13H2,1H3.
What are the key properties of 1-[[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
1-[[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]methyl]pyrrolidin-2-one has a molecular weight of 319.47 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 70764539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).