N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-morpholin-4-ylacetamide

C17H27N5O3 — CID 124980570

IUPACN-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-morpholin-4-ylacetamide
SMILESCN(C[C@]1(O)CCCN(c2ncccn2)C1)C(=O)CN1CCOCC1
InChIInChI=1S/C17H27N5O3/c1-20(15(23)12-21-8-10-25-11-9-21)13-17(24)4-2-7-22(14-17)16-18-5-3-6-19-16/h3,5-6,24H,2,4,7-14H2,1H3/t17-/m1/s1
InChIKeyMJXMEYIZCZERRA-QGZVFWFLSA-N
MW349.44 g/mol
LogP-0.40
Rot. Bonds5

About N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-morpholin-4-ylacetamide

N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-morpholin-4-ylacetamide (PubChem CID 124980570) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-morpholin-4-ylacetamide
PubChem CID124980570
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC NameN-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-morpholin-4-ylacetamide
SMILESCN(C[C@]1(O)CCCN(c2ncccn2)C1)C(=O)CN1CCOCC1
InChIInChI=1S/C17H27N5O3/c1-20(15(23)12-21-8-10-25-11-9-21)13-17(24)4-2-7-22(14-17)16-18-5-3-6-19-16/h3,5-6,24H,2,4,7-14H2,1H3/t17-/m1/s1
InChIKeyMJXMEYIZCZERRA-QGZVFWFLSA-N
XLogP-0.40
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-morpholin-4-ylacetamide with MolForge

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Related Compounds

N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methyl-2-morpholin-4-ylacetamide
CID 110123611
N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 110123597
2-(4-fluorophenyl)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methylacetamide
CID 124987350
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide
CID 125010093
N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(methylamino)acetamide
CID 110123986
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-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 110123853
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-2-morpholin-4-ylacetamide
CID 124996794
N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-3-phenoxypropanamide
CID 110123966
N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110123631
N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide
CID 124965364

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-morpholin-4-ylacetamide?
The IUPAC name of N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-morpholin-4-ylacetamide (CID 124980570) is N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-morpholin-4-ylacetamide is CN(C[C@]1(O)CCCN(c2ncccn2)C1)C(=O)CN1CCOCC1.
What is the InChIKey of N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-morpholin-4-ylacetamide?
The InChIKey is MJXMEYIZCZERRA-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-20(15(23)12-21-8-10-25-11-9-21)13-17(24)4-2-7-22(14-17)16-18-5-3-6-19-16/h3,5-6,24H,2,4,7-14H2,1H3/t17-/m1/s1.
What are the key properties of N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-morpholin-4-ylacetamide?
N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-morpholin-4-ylacetamide has a molecular weight of 349.44 g/mol, XLogP of -0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-morpholin-4-ylacetamide is sourced from PubChem (CID 124980570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).