1-(2-methylpiperidin-1-yl)-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]ethanone

C16H25N3OS — CID 136533413

IUPAC1-(2-methylpiperidin-1-yl)-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]ethanone
SMILESCc1nc(C2CCCN2CC(=O)N2CCCCC2C)cs1
InChIInChI=1S/C16H25N3OS/c1-12-6-3-4-9-19(12)16(20)10-18-8-5-7-15(18)14-11-21-13(2)17-14/h11-12,15H,3-10H2,1-2H3
InChIKeyALPAMLHLXGEYCV-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.99
Rot. Bonds3

About 1-(2-methylpiperidin-1-yl)-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]ethanone

1-(2-methylpiperidin-1-yl)-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]ethanone (PubChem CID 136533413) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 1-(2-methylpiperidin-1-yl)-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2-methylpiperidin-1-yl)-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]ethanone
PubChem CID136533413
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name1-(2-methylpiperidin-1-yl)-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]ethanone
SMILESCc1nc(C2CCCN2CC(=O)N2CCCCC2C)cs1
InChIInChI=1S/C16H25N3OS/c1-12-6-3-4-9-19(12)16(20)10-18-8-5-7-15(18)14-11-21-13(2)17-14/h11-12,15H,3-10H2,1-2H3
InChIKeyALPAMLHLXGEYCV-UHFFFAOYSA-N
XLogP2.99
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidin-1-yl)-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-(2-methylpiperidin-1-yl)-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]ethanone (CID 136533413) is 1-(2-methylpiperidin-1-yl)-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-(2-methylpiperidin-1-yl)-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-(2-methylpiperidin-1-yl)-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]ethanone is Cc1nc(C2CCCN2CC(=O)N2CCCCC2C)cs1.
What is the InChIKey of 1-(2-methylpiperidin-1-yl)-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is ALPAMLHLXGEYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-12-6-3-4-9-19(12)16(20)10-18-8-5-7-15(18)14-11-21-13(2)17-14/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 1-(2-methylpiperidin-1-yl)-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]ethanone?
1-(2-methylpiperidin-1-yl)-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 307.46 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidin-1-yl)-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 136533413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).