6-[3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

C11H15N3O4 — CID 43589522

IUPAC6-[3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCCC(CO)C1
InChIInChI=1S/C11H15N3O4/c15-6-7-2-1-3-14(5-7)10(17)8-4-9(16)13-11(18)12-8/h4,7,15H,1-3,5-6H2,(H2,12,13,16,18)
InChIKeyYUOUBOYEFGIWKZ-UHFFFAOYSA-N
MW253.26 g/mol
LogP-1.09
Rot. Bonds2

About 6-[3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

6-[3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 43589522) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 6-[3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID43589522
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name6-[3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCCC(CO)C1
InChIInChI=1S/C11H15N3O4/c15-6-7-2-1-3-14(5-7)10(17)8-4-9(16)13-11(18)12-8/h4,7,15H,1-3,5-6H2,(H2,12,13,16,18)
InChIKeyYUOUBOYEFGIWKZ-UHFFFAOYSA-N
XLogP-1.09
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-{[3-(cyclopropylmethyl)-3-(hydroxymethyl)-1-piperidinyl]carbonyl}-2,4(1H,3H)-pyrimidinedione
CID 72855325
6-{[3-(hydroxymethyl)-3-(2-methoxyethyl)-1-piperidinyl]carbonyl}-2,4(1H,3H)-pyrimidinedione
CID 72874311
1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-3-carboxylic acid
CID 24696646
(3R)-1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-3-carboxylic acid
CID 28186078
(3S)-1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-3-carboxylic acid
CID 28186080
6-(4-hydroxypiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 43416094
1-[2-[3-(Hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 43422232
1-[2-[3-(Hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
CID 43430931
6-[2-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 43572844
4-[3-(Hydroxymethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 43589499
6-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 54878235
6-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 54878539

Frequently Asked Questions

What is the IUPAC name of 6-[3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 43589522) is 6-[3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCCC(CO)C1.
What is the InChIKey of 6-[3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is YUOUBOYEFGIWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-6-7-2-1-3-14(5-7)10(17)8-4-9(16)13-11(18)12-8/h4,7,15H,1-3,5-6H2,(H2,12,13,16,18).
What are the key properties of 6-[3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
6-[3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 253.26 g/mol, XLogP of -1.09, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 43589522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).