1-[5-[[3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one

C20H23N3OS — CID 157253264

IUPAC1-[5-[[3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one
SMILESCC(=O)Cc1ncc(CN2CCCC(c3ccnc4c3CC=C4)C2)s1
InChIInChI=1S/C20H23N3OS/c1-14(24)10-20-22-11-16(25-20)13-23-9-3-4-15(12-23)17-7-8-21-19-6-2-5-18(17)19/h2,6-8,11,15H,3-5,9-10,12-13H2,1H3
InChIKeyNREFFSVJYPJRNY-UHFFFAOYSA-N
MW353.49 g/mol
LogP3.62
Rot. Bonds5

About 1-[5-[[3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one

1-[5-[[3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one (PubChem CID 157253264) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is 1-[5-[[3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-[[3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one
PubChem CID157253264
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name1-[5-[[3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one
SMILESCC(=O)Cc1ncc(CN2CCCC(c3ccnc4c3CC=C4)C2)s1
InChIInChI=1S/C20H23N3OS/c1-14(24)10-20-22-11-16(25-20)13-23-9-3-4-15(12-23)17-7-8-21-19-6-2-5-18(17)19/h2,6-8,11,15H,3-5,9-10,12-13H2,1H3
InChIKeyNREFFSVJYPJRNY-UHFFFAOYSA-N
XLogP3.62
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[[3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one?
The IUPAC name of 1-[5-[[3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one (CID 157253264) is 1-[5-[[3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one.
What is the SMILES notation for 1-[5-[[3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one?
The canonical SMILES for 1-[5-[[3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one is CC(=O)Cc1ncc(CN2CCCC(c3ccnc4c3CC=C4)C2)s1.
What is the InChIKey of 1-[5-[[3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one?
The InChIKey is NREFFSVJYPJRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-14(24)10-20-22-11-16(25-20)13-23-9-3-4-15(12-23)17-7-8-21-19-6-2-5-18(17)19/h2,6-8,11,15H,3-5,9-10,12-13H2,1H3.
What are the key properties of 1-[5-[[3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one?
1-[5-[[3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one has a molecular weight of 353.49 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one is sourced from PubChem (CID 157253264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).