N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide

C17H22N4O2S — CID 125010093

IUPACN-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide
SMILESCN(C[C@@]1(O)CCCN(c2ncccn2)C1)C(=O)Cc1ccsc1
InChIInChI=1S/C17H22N4O2S/c1-20(15(22)10-14-4-9-24-11-14)12-17(23)5-2-8-21(13-17)16-18-6-3-7-19-16/h3-4,6-7,9,11,23H,2,5,8,10,12-13H2,1H3/t17-/m0/s1
InChIKeyVGWPVVVJESZOBX-KRWDZBQOSA-N
MW346.46 g/mol
LogP1.57
Rot. Bonds5

About N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide

N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide (PubChem CID 125010093) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide
PubChem CID125010093
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide
SMILESCN(C[C@@]1(O)CCCN(c2ncccn2)C1)C(=O)Cc1ccsc1
InChIInChI=1S/C17H22N4O2S/c1-20(15(22)10-14-4-9-24-11-14)12-17(23)5-2-8-21(13-17)16-18-6-3-7-19-16/h3-4,6-7,9,11,23H,2,5,8,10,12-13H2,1H3/t17-/m0/s1
InChIKeyVGWPVVVJESZOBX-KRWDZBQOSA-N
XLogP1.57
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenyl)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methylacetamide
CID 124987350
N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 110123597
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide
CID 124961883
N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 110123853
N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-morpholin-4-ylacetamide
CID 124980570
N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methyl-2-morpholin-4-ylacetamide
CID 110123611
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide
CID 124996231
N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methylpyrimidine-4-carboxamide
CID 110123706
N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 110123702
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-pyridin-3-ylacetamide
CID 124991776
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 124942401
N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(methylamino)acetamide
CID 110123986

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide?
The IUPAC name of N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide (CID 125010093) is N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide is CN(C[C@@]1(O)CCCN(c2ncccn2)C1)C(=O)Cc1ccsc1.
What is the InChIKey of N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide?
The InChIKey is VGWPVVVJESZOBX-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-20(15(22)10-14-4-9-24-11-14)12-17(23)5-2-8-21(13-17)16-18-6-3-7-19-16/h3-4,6-7,9,11,23H,2,5,8,10,12-13H2,1H3/t17-/m0/s1.
What are the key properties of N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide?
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide has a molecular weight of 346.46 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide is sourced from PubChem (CID 125010093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).