3-methyl-5-[2-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

C18H28N4O4 — CID 95873831

IUPAC3-methyl-5-[2-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESC[C@@H](C1CCN(C(=O)Cc2c[nH]c(=O)n(C)c2=O)CC1)N1CCOCC1
InChIInChI=1S/C18H28N4O4/c1-13(21-7-9-26-10-8-21)14-3-5-22(6-4-14)16(23)11-15-12-19-18(25)20(2)17(15)24/h12-14H,3-11H2,1-2H3,(H,19,25)/t13-/m0/s1
InChIKeyPZGPBVKOUPJDTE-ZDUSSCGKSA-N
MW364.45 g/mol
LogP-0.42
Rot. Bonds4

About 3-methyl-5-[2-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

3-methyl-5-[2-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 95873831) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-methyl-5-[2-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-5-[2-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID95873831
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC Name3-methyl-5-[2-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESC[C@@H](C1CCN(C(=O)Cc2c[nH]c(=O)n(C)c2=O)CC1)N1CCOCC1
InChIInChI=1S/C18H28N4O4/c1-13(21-7-9-26-10-8-21)14-3-5-22(6-4-14)16(23)11-15-12-19-18(25)20(2)17(15)24/h12-14H,3-11H2,1-2H3,(H,19,25)/t13-/m0/s1
InChIKeyPZGPBVKOUPJDTE-ZDUSSCGKSA-N
XLogP-0.42
TPSA87.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-5-[2-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 95873831) is 3-methyl-5-[2-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-5-[2-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-5-[2-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is C[C@@H](C1CCN(C(=O)Cc2c[nH]c(=O)n(C)c2=O)CC1)N1CCOCC1.
What is the InChIKey of 3-methyl-5-[2-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is PZGPBVKOUPJDTE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H28N4O4/c1-13(21-7-9-26-10-8-21)14-3-5-22(6-4-14)16(23)11-15-12-19-18(25)20(2)17(15)24/h12-14H,3-11H2,1-2H3,(H,19,25)/t13-/m0/s1.
What are the key properties of 3-methyl-5-[2-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
3-methyl-5-[2-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 364.45 g/mol, XLogP of -0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 95873831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).