N-[[(3R,4R)-3,4-dihydroxy-1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methoxyacetamide

C14H22N4O4 — CID 110139452

IUPACN-[[(3R,4R)-3,4-dihydroxy-1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@]1(O)CCN(c2ccnc(C)n2)C[C@H]1O
InChIInChI=1S/C14H22N4O4/c1-10-15-5-3-12(17-10)18-6-4-14(21,11(19)7-18)9-16-13(20)8-22-2/h3,5,11,19,21H,4,6-9H2,1-2H3,(H,16,20)/t11-,14-/m1/s1
InChIKeySGQFYQHERWEFSB-BXUZGUMPSA-N
MW310.35 g/mol
LogP-1.15
Rot. Bonds5

About N-[[(3R,4R)-3,4-dihydroxy-1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methoxyacetamide

N-[[(3R,4R)-3,4-dihydroxy-1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methoxyacetamide (PubChem CID 110139452) has the molecular formula C14H22N4O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[[(3R,4R)-3,4-dihydroxy-1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[(3R,4R)-3,4-dihydroxy-1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methoxyacetamide
PubChem CID110139452
Molecular FormulaC14H22N4O4
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC NameN-[[(3R,4R)-3,4-dihydroxy-1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@]1(O)CCN(c2ccnc(C)n2)C[C@H]1O
InChIInChI=1S/C14H22N4O4/c1-10-15-5-3-12(17-10)18-6-4-14(21,11(19)7-18)9-16-13(20)8-22-2/h3,5,11,19,21H,4,6-9H2,1-2H3,(H,16,20)/t11-,14-/m1/s1
InChIKeySGQFYQHERWEFSB-BXUZGUMPSA-N
XLogP-1.15
TPSA107.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[[(3R,4R)-3,4-dihydroxy-1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methoxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-Pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471364
8-[4-[(3S)-3-hydroxypiperidin-1-yl]pyrimidin-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 95147608
2-(1-hydroxyethyl)-N-(2-methoxypyrimidin-4-yl)morpholine-4-carboxamide
CID 128787231
1-(4-Aminopyrimidin-2-yl)-3-fluoro-5-methoxypiperidin-4-ol
CID 156538738
(3S,4R,5R)-1-(4-aminopyrimidin-2-yl)-3-fluoro-5-methoxypiperidin-4-ol
CID 156550393
(3R,4S,5S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-5-methoxypiperidin-4-ol
CID 156550394
(3S,4R)-1-(4-aminopyrimidin-2-yl)-3-fluoro-5-methoxypiperidin-4-ol
CID 164002851
Carbanide;2-[2-[2-[(3,4-dihydroxyoxan-2-yl)methylamino]-2-oxoethoxy]ethoxy]acetic acid;2-(trifluoromethyl)pyrimidin-4-amine;vanadium
CID 176953384
2-(2-(2-Methylpyrimidin-4-yl)-9-oxo-7-oxa-2,10-diazaspiro-[5.6]dodecan-10-yl)acetic acid
CID 168255419
(3R*,4R*)-4-(pyrimidin-2-ylamino)-1-[(2,2,3,3-tetrafluoropropoxy)acetyl]piperidin-3-ol
CID 118761845
1-[3-Hydroxy-4-(pyrimidin-2-ylamino)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone
CID 168454670
8-[4-(3-Hydroxypiperidin-1-yl)pyrimidin-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 50983617

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4R)-3,4-dihydroxy-1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[(3R,4R)-3,4-dihydroxy-1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methoxyacetamide (CID 110139452) is N-[[(3R,4R)-3,4-dihydroxy-1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[(3R,4R)-3,4-dihydroxy-1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[(3R,4R)-3,4-dihydroxy-1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methoxyacetamide is COCC(=O)NC[C@]1(O)CCN(c2ccnc(C)n2)C[C@H]1O.
What is the InChIKey of N-[[(3R,4R)-3,4-dihydroxy-1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methoxyacetamide?
The InChIKey is SGQFYQHERWEFSB-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H22N4O4/c1-10-15-5-3-12(17-10)18-6-4-14(21,11(19)7-18)9-16-13(20)8-22-2/h3,5,11,19,21H,4,6-9H2,1-2H3,(H,16,20)/t11-,14-/m1/s1.
What are the key properties of N-[[(3R,4R)-3,4-dihydroxy-1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methoxyacetamide?
N-[[(3R,4R)-3,4-dihydroxy-1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methoxyacetamide has a molecular weight of 310.35 g/mol, XLogP of -1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,4R)-3,4-dihydroxy-1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 110139452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).