1-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione

C18H22N4O4 — CID 56747565

IUPAC1-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
SMILESCc1ccc(C2(O)CCN(C(=O)CCn3ccc(=O)[nH]c3=O)CC2)nc1
InChIInChI=1S/C18H22N4O4/c1-13-2-3-14(19-12-13)18(26)6-10-21(11-7-18)16(24)5-9-22-8-4-15(23)20-17(22)25/h2-4,8,12,26H,5-7,9-11H2,1H3,(H,20,23,25)
InChIKeyJUYFFHHEAYWLHO-UHFFFAOYSA-N
MW358.40 g/mol
LogP0.14
Rot. Bonds4

About 1-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione

1-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione (PubChem CID 56747565) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
PubChem CID56747565
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name1-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
SMILESCc1ccc(C2(O)CCN(C(=O)CCn3ccc(=O)[nH]c3=O)CC2)nc1
InChIInChI=1S/C18H22N4O4/c1-13-2-3-14(19-12-13)18(26)6-10-21(11-7-18)16(24)5-9-22-8-4-15(23)20-17(22)25/h2-4,8,12,26H,5-7,9-11H2,1H3,(H,20,23,25)
InChIKeyJUYFFHHEAYWLHO-UHFFFAOYSA-N
XLogP0.14
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-[2-(2-oxo-1-imidazolidinyl)ethyl]-1,2-dihydro-1,5-naphthyridine-3-carboxamide
CID 69480439
1-{3-[4-hydroxy-4-(5-methylpyridin-2-yl)piperidin-1-yl]-3-oxopropyl}-6-methylpyridin-2(1H)-one
CID 56740105
1-{2-[4-hydroxy-4-(5-methylpyridin-2-yl)piperidin-1-yl]-2-oxoethyl}-5-methylpyrimidine-2,4(1H,3H)-dione
CID 56756025
5-{3-[4-Hydroxy-4-(5-methylpyridin-2-YL)piperidin-1-YL]-3-oxopropyl}imidazolidine-2,4-dione
CID 56755815
1-(6-Hydroxy-5-{[4-hydroxy-4-(5-methyl-2-pyridinyl)-1-piperidinyl]carbonyl}-2-methyl-3-pyridinyl)ethanone
CID 56743832
5-{2-[4-Hydroxy-4-(5-methylpyridin-2-YL)piperidin-1-YL]-2-oxoethyl}-3-propylimidazolidine-2,4-dione
CID 56746556
1-{[2-(Methylamino)pyridin-3-yl]carbonyl}-4-(5-methylpyridin-2-yl)piperidin-4-ol
CID 56750665
5-{2-[4-hydroxy-4-(5-methylpyridin-2-yl)piperidin-1-yl]-2-oxoethyl}pyrimidine-2,4(1H,3H)-dione
CID 56751375
N-{1-(hydroxymethyl)-2-[4-hydroxy-4-(5-methylpyridin-2-yl)piperidin-1-yl]-2-oxoethyl}acetamide
CID 56760604
N-[2-(4-fluorophenyl)ethyl]-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide
CID 16674320
N-[(4-fluorophenyl)methyl]-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide
CID 16674640
N-(2-fluorophenyl)-4-hydroxy-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide
CID 46958884

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione (CID 56747565) is 1-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione is Cc1ccc(C2(O)CCN(C(=O)CCn3ccc(=O)[nH]c3=O)CC2)nc1.
What is the InChIKey of 1-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
The InChIKey is JUYFFHHEAYWLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-13-2-3-14(19-12-13)18(26)6-10-21(11-7-18)16(24)5-9-22-8-4-15(23)20-17(22)25/h2-4,8,12,26H,5-7,9-11H2,1H3,(H,20,23,25).
What are the key properties of 1-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
1-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione has a molecular weight of 358.40 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione is sourced from PubChem (CID 56747565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).