(1-morpholin-4-yl-1-oxopropan-2-yl) 1-pyrimidin-2-ylpiperidine-4-carboxylate

C17H24N4O4 — CID 55998836

IUPAC(1-morpholin-4-yl-1-oxopropan-2-yl) 1-pyrimidin-2-ylpiperidine-4-carboxylate
SMILESCC(OC(=O)C1CCN(c2ncccn2)CC1)C(=O)N1CCOCC1
InChIInChI=1S/C17H24N4O4/c1-13(15(22)20-9-11-24-12-10-20)25-16(23)14-3-7-21(8-4-14)17-18-5-2-6-19-17/h2,5-6,13-14H,3-4,7-12H2,1H3
InChIKeyAZWCBDUVXFXASS-UHFFFAOYSA-N
MW348.40 g/mol
LogP0.48
Rot. Bonds4

About (1-morpholin-4-yl-1-oxopropan-2-yl) 1-pyrimidin-2-ylpiperidine-4-carboxylate

(1-morpholin-4-yl-1-oxopropan-2-yl) 1-pyrimidin-2-ylpiperidine-4-carboxylate (PubChem CID 55998836) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is (1-morpholin-4-yl-1-oxopropan-2-yl) 1-pyrimidin-2-ylpiperidine-4-carboxylate.

Molecular Properties

Compound Name(1-morpholin-4-yl-1-oxopropan-2-yl) 1-pyrimidin-2-ylpiperidine-4-carboxylate
PubChem CID55998836
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name(1-morpholin-4-yl-1-oxopropan-2-yl) 1-pyrimidin-2-ylpiperidine-4-carboxylate
SMILESCC(OC(=O)C1CCN(c2ncccn2)CC1)C(=O)N1CCOCC1
InChIInChI=1S/C17H24N4O4/c1-13(15(22)20-9-11-24-12-10-20)25-16(23)14-3-7-21(8-4-14)17-18-5-2-6-19-17/h2,5-6,13-14H,3-4,7-12H2,1H3
InChIKeyAZWCBDUVXFXASS-UHFFFAOYSA-N
XLogP0.48
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1-morpholin-4-yl-1-oxopropan-2-yl) 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 55379719
[1-(dibenzylamino)-1-oxopropan-2-yl] 1-pyrimidin-2-ylpiperidine-4-carboxylate
CID 55701319
[1-oxo-1-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]propan-2-yl] 1-pyrimidin-2-ylpiperidine-4-carboxylate
CID 55999780
[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] 1-pyrimidin-2-ylpiperidine-4-carboxylate
CID 55998438
[(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl] 3-aminopyrazine-2-carboxylate
CID 30257912
2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 163198677
(1-morpholin-4-yl-1-oxopropan-2-yl) 2-(difluoromethylsulfanyl)pyridine-3-carboxylate
CID 55377667
[(2R)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl] thiophene-2-carboxylate
CID 30580321
[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl] 3-(1,3-benzodioxol-5-yl)propanoate
CID 55540430
prop-2-enyl 1-pyrimidin-2-ylpiperidine-4-carboxylate
CID 86826366
1-(2-methyl-3-methylsulfanylpropanoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-4-carboxamide
CID 136540184
[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 166600805

Frequently Asked Questions

What is the IUPAC name of (1-morpholin-4-yl-1-oxopropan-2-yl) 1-pyrimidin-2-ylpiperidine-4-carboxylate?
The IUPAC name of (1-morpholin-4-yl-1-oxopropan-2-yl) 1-pyrimidin-2-ylpiperidine-4-carboxylate (CID 55998836) is (1-morpholin-4-yl-1-oxopropan-2-yl) 1-pyrimidin-2-ylpiperidine-4-carboxylate.
What is the SMILES notation for (1-morpholin-4-yl-1-oxopropan-2-yl) 1-pyrimidin-2-ylpiperidine-4-carboxylate?
The canonical SMILES for (1-morpholin-4-yl-1-oxopropan-2-yl) 1-pyrimidin-2-ylpiperidine-4-carboxylate is CC(OC(=O)C1CCN(c2ncccn2)CC1)C(=O)N1CCOCC1.
What is the InChIKey of (1-morpholin-4-yl-1-oxopropan-2-yl) 1-pyrimidin-2-ylpiperidine-4-carboxylate?
The InChIKey is AZWCBDUVXFXASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-13(15(22)20-9-11-24-12-10-20)25-16(23)14-3-7-21(8-4-14)17-18-5-2-6-19-17/h2,5-6,13-14H,3-4,7-12H2,1H3.
What are the key properties of (1-morpholin-4-yl-1-oxopropan-2-yl) 1-pyrimidin-2-ylpiperidine-4-carboxylate?
(1-morpholin-4-yl-1-oxopropan-2-yl) 1-pyrimidin-2-ylpiperidine-4-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-morpholin-4-yl-1-oxopropan-2-yl) 1-pyrimidin-2-ylpiperidine-4-carboxylate is sourced from PubChem (CID 55998836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).