6-[(3S)-3-hydroxypiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

C10H13N3O4 — CID 93040659

IUPAC6-[(3S)-3-hydroxypiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCC[C@H](O)C1
InChIInChI=1S/C10H13N3O4/c14-6-2-1-3-13(5-6)9(16)7-4-8(15)12-10(17)11-7/h4,6,14H,1-3,5H2,(H2,11,12,15,17)/t6-/m0/s1
InChIKeyPXOSTQMIUVMXHQ-LURJTMIESA-N
MW239.23 g/mol
LogP-1.34
Rot. Bonds1

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

6-[(3S)-3-hydroxypiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 93040659) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 6-[(3S)-3-hydroxypiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(3S)-3-hydroxypiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID93040659
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name6-[(3S)-3-hydroxypiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCC[C@H](O)C1
InChIInChI=1S/C10H13N3O4/c14-6-2-1-3-13(5-6)9(16)7-4-8(15)12-10(17)11-7/h4,6,14H,1-3,5H2,(H2,11,12,15,17)/t6-/m0/s1
InChIKeyPXOSTQMIUVMXHQ-LURJTMIESA-N
XLogP-1.34
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[(3S)-3-hydroxypiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-[(2S,5S)-5-hydroxypiperidin-2-yl]pyridin-2-one
CID 139390598
3-[2-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 166558491
6-[(4-hydroxypiperidin-1-yl)methyl]-1H-pyrimidine-2,4-dione
CID 176164020
1-[(3-Hydroxypiperidin-1-yl)methyl]pyrimidine-2,4-dione
CID 176164024
6-[(3-hydroxypiperidin-1-yl)methyl]-1H-pyrimidine-2,4-dione
CID 176164027
1-(4-Hydroxybutyl)-5-piperidin-1-ylpyrimidine-2,4-dione
CID 10849441
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(3-hydroxypiperidin-1-yl)acetamide
CID 18271639
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(3-hydroxypiperidin-1-yl)acetamide
CID 18281470
N-(4-hydroxycyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 43389241
1-[2-(4-Hydroxypiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 43393429
6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 43415645
6-(3-hydroxypiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 43415880

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-hydroxypiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(3S)-3-hydroxypiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 93040659) is 6-[(3S)-3-hydroxypiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(3S)-3-hydroxypiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(3S)-3-hydroxypiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCC[C@H](O)C1.
What is the InChIKey of 6-[(3S)-3-hydroxypiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is PXOSTQMIUVMXHQ-LURJTMIESA-N. The full InChI is InChI=1S/C10H13N3O4/c14-6-2-1-3-13(5-6)9(16)7-4-8(15)12-10(17)11-7/h4,6,14H,1-3,5H2,(H2,11,12,15,17)/t6-/m0/s1.
What are the key properties of 6-[(3S)-3-hydroxypiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
6-[(3S)-3-hydroxypiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 239.23 g/mol, XLogP of -1.34, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-hydroxypiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 93040659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).