3-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one

C17H21N3O3S — CID 95607220

IUPAC3-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one
SMILESC[C@@H](O)CN1CCN(C(=O)c2ccc(-c3cccs3)[nH]c2=O)CC1
InChIInChI=1S/C17H21N3O3S/c1-12(21)11-19-6-8-20(9-7-19)17(23)13-4-5-14(18-16(13)22)15-3-2-10-24-15/h2-5,10,12,21H,6-9,11H2,1H3,(H,18,22)/t12-/m1/s1
InChIKeyYZLWOLRIRNNJKL-GFCCVEGCSA-N
MW347.44 g/mol
LogP1.24
Rot. Bonds4

About 3-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one

3-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one (PubChem CID 95607220) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one
PubChem CID95607220
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name3-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one
SMILESC[C@@H](O)CN1CCN(C(=O)c2ccc(-c3cccs3)[nH]c2=O)CC1
InChIInChI=1S/C17H21N3O3S/c1-12(21)11-19-6-8-20(9-7-19)17(23)13-4-5-14(18-16(13)22)15-3-2-10-24-15/h2-5,10,12,21H,6-9,11H2,1H3,(H,18,22)/t12-/m1/s1
InChIKeyYZLWOLRIRNNJKL-GFCCVEGCSA-N
XLogP1.24
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one
CID 166200032
[4-(2-hydroxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 82120170
3-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one
CID 56551516
(2,4-dimethylphenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779839
(2-bromophenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779831
(2,5-dichlorophenyl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95337497
(5-chloro-2-fluorophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95351618
N-[(1R)-2-methyl-1-phenylpropyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide
CID 95047719
2-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]benzenesulfonamide
CID 1239368
(4-chlorothieno[2,3-b]thiophen-5-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779864
(4-chlorothieno[2,3-b]thiophen-5-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95606898
(2S)-1-[4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-2-ol
CID 95312493

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one (CID 95607220) is 3-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one is C[C@@H](O)CN1CCN(C(=O)c2ccc(-c3cccs3)[nH]c2=O)CC1.
What is the InChIKey of 3-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one?
The InChIKey is YZLWOLRIRNNJKL-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-12(21)11-19-6-8-20(9-7-19)17(23)13-4-5-14(18-16(13)22)15-3-2-10-24-15/h2-5,10,12,21H,6-9,11H2,1H3,(H,18,22)/t12-/m1/s1.
What are the key properties of 3-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one?
3-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one has a molecular weight of 347.44 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 95607220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).