N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

C15H23N5O3 — CID 91767847

IUPACN-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ncccn2)CC1)N[C@@H]1CCOC[C@H]1O
InChIInChI=1S/C15H23N5O3/c21-13-11-23-9-2-12(13)18-14(22)10-19-5-7-20(8-6-19)15-16-3-1-4-17-15/h1,3-4,12-13,21H,2,5-11H2,(H,18,22)/t12-,13-/m1/s1
InChIKeyVAFKYEPXQBQDGI-CHWSQXEVSA-N
MW321.38 g/mol
LogP-1.14
Rot. Bonds4

About N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (PubChem CID 91767847) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
PubChem CID91767847
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC NameN-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ncccn2)CC1)N[C@@H]1CCOC[C@H]1O
InChIInChI=1S/C15H23N5O3/c21-13-11-23-9-2-12(13)18-14(22)10-19-5-7-20(8-6-19)15-16-3-1-4-17-15/h1,3-4,12-13,21H,2,5-11H2,(H,18,22)/t12-,13-/m1/s1
InChIKeyVAFKYEPXQBQDGI-CHWSQXEVSA-N
XLogP-1.14
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide with MolForge

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Related Compounds

N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8542887
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 11929363
2-(4-pyrimidin-2-ylpiperazin-1-yl)acetohydrazide
CID 63569943
N-(cyclopropylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 32847121
2-(4-methylpiperazin-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 140936797
N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 27104437
N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(4-phenylpiperidin-1-yl)acetamide
CID 91768208
N-[[(3S)-oxolan-3-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 94124309
N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 118782539
2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl chloride
CID 39255813
2-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]pyrimidine
CID 138809318
N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 124842295

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (CID 91767847) is N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ncccn2)CC1)N[C@@H]1CCOC[C@H]1O.
What is the InChIKey of N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is VAFKYEPXQBQDGI-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H23N5O3/c21-13-11-23-9-2-12(13)18-14(22)10-19-5-7-20(8-6-19)15-16-3-1-4-17-15/h1,3-4,12-13,21H,2,5-11H2,(H,18,22)/t12-,13-/m1/s1.
What are the key properties of N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 321.38 g/mol, XLogP of -1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 91767847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).