1-[2-[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one

C18H29N3OS — CID 56884379

IUPAC1-[2-[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
SMILESCCc1nc(C)sc1CN1CCCCC1CCN1CCCC1=O
InChIInChI=1S/C18H29N3OS/c1-3-16-17(23-14(2)19-16)13-21-10-5-4-7-15(21)9-12-20-11-6-8-18(20)22/h15H,3-13H2,1-2H3
InChIKeyOFJARVOGKSPAGH-UHFFFAOYSA-N
MW335.52 g/mol
LogP3.38
Rot. Bonds6

About 1-[2-[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one

1-[2-[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one (PubChem CID 56884379) has the molecular formula C18H29N3OS and a molecular weight of 335.52 g/mol. Its IUPAC name is 1-[2-[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
PubChem CID56884379
Molecular FormulaC18H29N3OS
Molecular Weight335.52 g/mol
Exact Mass335.20
IUPAC Name1-[2-[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
SMILESCCc1nc(C)sc1CN1CCCCC1CCN1CCCC1=O
InChIInChI=1S/C18H29N3OS/c1-3-16-17(23-14(2)19-16)13-21-10-5-4-7-15(21)9-12-20-11-6-8-18(20)22/h15H,3-13H2,1-2H3
InChIKeyOFJARVOGKSPAGH-UHFFFAOYSA-N
XLogP3.38
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.52
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one (CID 56884379) is 1-[2-[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one is CCc1nc(C)sc1CN1CCCCC1CCN1CCCC1=O.
What is the InChIKey of 1-[2-[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
The InChIKey is OFJARVOGKSPAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3OS/c1-3-16-17(23-14(2)19-16)13-21-10-5-4-7-15(21)9-12-20-11-6-8-18(20)22/h15H,3-13H2,1-2H3.
What are the key properties of 1-[2-[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
1-[2-[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one has a molecular weight of 335.52 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 56884379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).