3-[[4-[2-phenyl-2-(1,3-thiazol-2-yl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one

C22H25N3OS — CID 90907176

IUPAC3-[[4-[2-phenyl-2-(1,3-thiazol-2-yl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1CN1CCC(CC(c2ccccc2)c2nccs2)CC1
InChIInChI=1S/C22H25N3OS/c26-21-19(7-4-10-23-21)16-25-12-8-17(9-13-25)15-20(22-24-11-14-27-22)18-5-2-1-3-6-18/h1-7,10-11,14,17,20H,8-9,12-13,15-16H2,(H,23,26)
InChIKeyPKDQKSXGQIKVNN-UHFFFAOYSA-N
MW379.53 g/mol
LogP4.27
Rot. Bonds6

About 3-[[4-[2-phenyl-2-(1,3-thiazol-2-yl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one

3-[[4-[2-phenyl-2-(1,3-thiazol-2-yl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one (PubChem CID 90907176) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is 3-[[4-[2-phenyl-2-(1,3-thiazol-2-yl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[[4-[2-phenyl-2-(1,3-thiazol-2-yl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one
PubChem CID90907176
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC Name3-[[4-[2-phenyl-2-(1,3-thiazol-2-yl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1CN1CCC(CC(c2ccccc2)c2nccs2)CC1
InChIInChI=1S/C22H25N3OS/c26-21-19(7-4-10-23-21)16-25-12-8-17(9-13-25)15-20(22-24-11-14-27-22)18-5-2-1-3-6-18/h1-7,10-11,14,17,20H,8-9,12-13,15-16H2,(H,23,26)
InChIKeyPKDQKSXGQIKVNN-UHFFFAOYSA-N
XLogP4.27
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-phenyl-2-(1,3-thiazol-2-yl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one?
The IUPAC name of 3-[[4-[2-phenyl-2-(1,3-thiazol-2-yl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one (CID 90907176) is 3-[[4-[2-phenyl-2-(1,3-thiazol-2-yl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[[4-[2-phenyl-2-(1,3-thiazol-2-yl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[[4-[2-phenyl-2-(1,3-thiazol-2-yl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one is O=c1[nH]cccc1CN1CCC(CC(c2ccccc2)c2nccs2)CC1.
What is the InChIKey of 3-[[4-[2-phenyl-2-(1,3-thiazol-2-yl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one?
The InChIKey is PKDQKSXGQIKVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS/c26-21-19(7-4-10-23-21)16-25-12-8-17(9-13-25)15-20(22-24-11-14-27-22)18-5-2-1-3-6-18/h1-7,10-11,14,17,20H,8-9,12-13,15-16H2,(H,23,26).
What are the key properties of 3-[[4-[2-phenyl-2-(1,3-thiazol-2-yl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one?
3-[[4-[2-phenyl-2-(1,3-thiazol-2-yl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one has a molecular weight of 379.53 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-phenyl-2-(1,3-thiazol-2-yl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 90907176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).