[2-[3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea

C16H24N6O3 — CID 56910239

IUPAC[2-[3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea
SMILESNC(=O)NCC(=O)N1CCCC(c2cc(N3CCOCC3)ncn2)C1
InChIInChI=1S/C16H24N6O3/c17-16(24)18-9-15(23)22-3-1-2-12(10-22)13-8-14(20-11-19-13)21-4-6-25-7-5-21/h8,11-12H,1-7,9-10H2,(H3,17,18,24)
InChIKeyZGUWJIQKHHKWPC-UHFFFAOYSA-N
MW348.41 g/mol
LogP-0.31
Rot. Bonds4

About [2-[3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea

[2-[3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea (PubChem CID 56910239) has the molecular formula C16H24N6O3 and a molecular weight of 348.41 g/mol. Its IUPAC name is [2-[3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea.

Molecular Properties

Compound Name[2-[3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea
PubChem CID56910239
Molecular FormulaC16H24N6O3
Molecular Weight348.41 g/mol
Exact Mass348.19
IUPAC Name[2-[3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea
SMILESNC(=O)NCC(=O)N1CCCC(c2cc(N3CCOCC3)ncn2)C1
InChIInChI=1S/C16H24N6O3/c17-16(24)18-9-15(23)22-3-1-2-12(10-22)13-8-14(20-11-19-13)21-4-6-25-7-5-21/h8,11-12H,1-7,9-10H2,(H3,17,18,24)
InChIKeyZGUWJIQKHHKWPC-UHFFFAOYSA-N
XLogP-0.31
TPSA113.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea?
The IUPAC name of [2-[3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea (CID 56910239) is [2-[3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea.
What is the SMILES notation for [2-[3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea?
The canonical SMILES for [2-[3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea is NC(=O)NCC(=O)N1CCCC(c2cc(N3CCOCC3)ncn2)C1.
What is the InChIKey of [2-[3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea?
The InChIKey is ZGUWJIQKHHKWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O3/c17-16(24)18-9-15(23)22-3-1-2-12(10-22)13-8-14(20-11-19-13)21-4-6-25-7-5-21/h8,11-12H,1-7,9-10H2,(H3,17,18,24).
What are the key properties of [2-[3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea?
[2-[3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea has a molecular weight of 348.41 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea is sourced from PubChem (CID 56910239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).