2-[(3R,4R)-3-hydroxy-4-[(2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide

C14H23N5O2 — CID 121495640

IUPAC2-[(3R,4R)-3-hydroxy-4-[(2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCc1nccc(N[C@@H]2CCN(CC(=O)N(C)C)C[C@H]2O)n1
InChIInChI=1S/C14H23N5O2/c1-10-15-6-4-13(16-10)17-11-5-7-19(8-12(11)20)9-14(21)18(2)3/h4,6,11-12,20H,5,7-9H2,1-3H3,(H,15,16,17)/t11-,12-/m1/s1
InChIKeyXCSKWKRLVWTZPN-VXGBXAGGSA-N
MW293.37 g/mol
LogP-0.28
Rot. Bonds4

About 2-[(3R,4R)-3-hydroxy-4-[(2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide

2-[(3R,4R)-3-hydroxy-4-[(2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 121495640) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[(3R,4R)-3-hydroxy-4-[(2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3R,4R)-3-hydroxy-4-[(2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID121495640
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name2-[(3R,4R)-3-hydroxy-4-[(2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCc1nccc(N[C@@H]2CCN(CC(=O)N(C)C)C[C@H]2O)n1
InChIInChI=1S/C14H23N5O2/c1-10-15-6-4-13(16-10)17-11-5-7-19(8-12(11)20)9-14(21)18(2)3/h4,6,11-12,20H,5,7-9H2,1-3H3,(H,15,16,17)/t11-,12-/m1/s1
InChIKeyXCSKWKRLVWTZPN-VXGBXAGGSA-N
XLogP-0.28
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(3R,4R)-3-hydroxy-4-[(2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide with MolForge

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Related Compounds

2-[(3R,4R)-3-hydroxy-4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
CID 118779443
N,N-dimethyl-2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]acetamide
CID 144655106
N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 118794013
2-[(3R,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide
CID 118769079
N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-fluoro-2-methylbenzamide
CID 118764058
2,3-dichloro-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide
CID 118784312
N,N-dimethyl-2-[4-[(2-methyl-3-pyridinyl)amino]piperidin-1-yl]acetamide
CID 79042062
N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 118764876
3-(difluoromethoxy)-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide
CID 118787893
N-(1-ethylpiperidin-3-yl)-2-methylpyrimidin-4-amine
CID 62786064
N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-2-(1H-indol-3-yl)acetamide
CID 121499951
N-cyclobutyl-2-methylpyrimidin-4-amine
CID 62784547

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-3-hydroxy-4-[(2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(3R,4R)-3-hydroxy-4-[(2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide (CID 121495640) is 2-[(3R,4R)-3-hydroxy-4-[(2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3R,4R)-3-hydroxy-4-[(2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3R,4R)-3-hydroxy-4-[(2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide is Cc1nccc(N[C@@H]2CCN(CC(=O)N(C)C)C[C@H]2O)n1.
What is the InChIKey of 2-[(3R,4R)-3-hydroxy-4-[(2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is XCSKWKRLVWTZPN-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-10-15-6-4-13(16-10)17-11-5-7-19(8-12(11)20)9-14(21)18(2)3/h4,6,11-12,20H,5,7-9H2,1-3H3,(H,15,16,17)/t11-,12-/m1/s1.
What are the key properties of 2-[(3R,4R)-3-hydroxy-4-[(2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide?
2-[(3R,4R)-3-hydroxy-4-[(2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 293.37 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-3-hydroxy-4-[(2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 121495640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).