1-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one

C17H20N2O3S — CID 74233473

IUPAC1-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1ccccc1=O)N1CCC(C(O)c2cccs2)CC1
InChIInChI=1S/C17H20N2O3S/c20-15-5-1-2-8-19(15)12-16(21)18-9-6-13(7-10-18)17(22)14-4-3-11-23-14/h1-5,8,11,13,17,22H,6-7,9-10,12H2
InChIKeyYXKDMOCXTQXQBA-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.88
Rot. Bonds4

About 1-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one

1-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one (PubChem CID 74233473) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one
PubChem CID74233473
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name1-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1ccccc1=O)N1CCC(C(O)c2cccs2)CC1
InChIInChI=1S/C17H20N2O3S/c20-15-5-1-2-8-19(15)12-16(21)18-9-6-13(7-10-18)17(22)14-4-3-11-23-14/h1-5,8,11,13,17,22H,6-7,9-10,12H2
InChIKeyYXKDMOCXTQXQBA-UHFFFAOYSA-N
XLogP1.88
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]pyridin-2-one
CID 78801508
ethyl 1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate
CID 78791788
N-[1-[2-[4-[(S)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide
CID 26345004
N-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-4-yl]benzamide
CID 24645620
6-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 119061216
1-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 8623665
3-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 45206108
1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 55496052
1-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one
CID 120994925
2-[[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 97155043
3-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51246913
[1-[2-(benzimidazol-1-yl)ethyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 135103272

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 1-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one (CID 74233473) is 1-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one is O=C(Cn1ccccc1=O)N1CCC(C(O)c2cccs2)CC1.
What is the InChIKey of 1-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one?
The InChIKey is YXKDMOCXTQXQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c20-15-5-1-2-8-19(15)12-16(21)18-9-6-13(7-10-18)17(22)14-4-3-11-23-14/h1-5,8,11,13,17,22H,6-7,9-10,12H2.
What are the key properties of 1-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one?
1-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one has a molecular weight of 332.43 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 74233473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).