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

C21H25N3OS — CID 149336461

IUPAC1-[5-[[3-(2-methyl-5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one
SMILESCC(=O)Cc1ncc(CN2CCCC(c3cc(C)nc4c3CC=C4)C2)s1
InChIInChI=1S/C21H25N3OS/c1-14-9-19(18-6-3-7-20(18)23-14)16-5-4-8-24(12-16)13-17-11-22-21(26-17)10-15(2)25/h3,7,9,11,16H,4-6,8,10,12-13H2,1-2H3
InChIKeyYDIJWVALWHSDFH-UHFFFAOYSA-N
MW367.52 g/mol
LogP3.93
Rot. Bonds5

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

1-[5-[[3-(2-methyl-5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one (PubChem CID 149336461) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is 1-[5-[[3-(2-methyl-5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-[[3-(2-methyl-5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one
PubChem CID149336461
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC Name1-[5-[[3-(2-methyl-5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one
SMILESCC(=O)Cc1ncc(CN2CCCC(c3cc(C)nc4c3CC=C4)C2)s1
InChIInChI=1S/C21H25N3OS/c1-14-9-19(18-6-3-7-20(18)23-14)16-5-4-8-24(12-16)13-17-11-22-21(26-17)10-15(2)25/h3,7,9,11,16H,4-6,8,10,12-13H2,1-2H3
InChIKeyYDIJWVALWHSDFH-UHFFFAOYSA-N
XLogP3.93
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[[3-(2-methyl-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-(2-methyl-5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one (CID 149336461) is 1-[5-[[3-(2-methyl-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-(2-methyl-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-(2-methyl-5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one is CC(=O)Cc1ncc(CN2CCCC(c3cc(C)nc4c3CC=C4)C2)s1.
What is the InChIKey of 1-[5-[[3-(2-methyl-5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one?
The InChIKey is YDIJWVALWHSDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3OS/c1-14-9-19(18-6-3-7-20(18)23-14)16-5-4-8-24(12-16)13-17-11-22-21(26-17)10-15(2)25/h3,7,9,11,16H,4-6,8,10,12-13H2,1-2H3.
What are the key properties of 1-[5-[[3-(2-methyl-5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one?
1-[5-[[3-(2-methyl-5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one has a molecular weight of 367.52 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[3-(2-methyl-5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one is sourced from PubChem (CID 149336461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).