5-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one

C17H26N4O4 — CID 72913613

IUPAC5-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2C[C@H](CO)C[C@H](CN3CCOCC3)C2)c(=O)[nH]1
InChIInChI=1S/C17H26N4O4/c1-12-18-7-15(16(23)19-12)17(24)21-9-13(6-14(10-21)11-22)8-20-2-4-25-5-3-20/h7,13-14,22H,2-6,8-11H2,1H3,(H,18,19,23)/t13-,14-/m1/s1
InChIKeyAAHUOTJQWJQADU-ZIAGYGMSSA-N
MW350.42 g/mol
LogP-0.52
Rot. Bonds4

About 5-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one

5-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 72913613) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID72913613
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Name5-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2C[C@H](CO)C[C@H](CN3CCOCC3)C2)c(=O)[nH]1
InChIInChI=1S/C17H26N4O4/c1-12-18-7-15(16(23)19-12)17(24)21-9-13(6-14(10-21)11-22)8-20-2-4-25-5-3-20/h7,13-14,22H,2-6,8-11H2,1H3,(H,18,19,23)/t13-,14-/m1/s1
InChIKeyAAHUOTJQWJQADU-ZIAGYGMSSA-N
XLogP-0.52
TPSA98.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one (CID 72913613) is 5-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one is Cc1ncc(C(=O)N2C[C@H](CO)C[C@H](CN3CCOCC3)C2)c(=O)[nH]1.
What is the InChIKey of 5-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is AAHUOTJQWJQADU-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-12-18-7-15(16(23)19-12)17(24)21-9-13(6-14(10-21)11-22)8-20-2-4-25-5-3-20/h7,13-14,22H,2-6,8-11H2,1H3,(H,18,19,23)/t13-,14-/m1/s1.
What are the key properties of 5-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
5-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 350.42 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 72913613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).