1-[(2R,3S)-3-hydroxy-2-piperidin-1-ylhexyl]pyrimidine-2,4-dione

C15H25N3O3 — CID 10827713

IUPAC1-[(2R,3S)-3-hydroxy-2-piperidin-1-ylhexyl]pyrimidine-2,4-dione
SMILESCCC[C@H](O)[C@@H](Cn1ccc(=O)[nH]c1=O)N1CCCCC1
InChIInChI=1S/C15H25N3O3/c1-2-6-13(19)12(17-8-4-3-5-9-17)11-18-10-7-14(20)16-15(18)21/h7,10,12-13,19H,2-6,8-9,11H2,1H3,(H,16,20,21)/t12-,13+/m1/s1
InChIKeyRVKWLGSSIHNKKN-OLZOCXBDSA-N
MW295.38 g/mol
LogP0.55
Rot. Bonds6

About 1-[(2R,3S)-3-hydroxy-2-piperidin-1-ylhexyl]pyrimidine-2,4-dione

1-[(2R,3S)-3-hydroxy-2-piperidin-1-ylhexyl]pyrimidine-2,4-dione (PubChem CID 10827713) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[(2R,3S)-3-hydroxy-2-piperidin-1-ylhexyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3S)-3-hydroxy-2-piperidin-1-ylhexyl]pyrimidine-2,4-dione
PubChem CID10827713
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name1-[(2R,3S)-3-hydroxy-2-piperidin-1-ylhexyl]pyrimidine-2,4-dione
SMILESCCC[C@H](O)[C@@H](Cn1ccc(=O)[nH]c1=O)N1CCCCC1
InChIInChI=1S/C15H25N3O3/c1-2-6-13(19)12(17-8-4-3-5-9-17)11-18-10-7-14(20)16-15(18)21/h7,10,12-13,19H,2-6,8-9,11H2,1H3,(H,16,20,21)/t12-,13+/m1/s1
InChIKeyRVKWLGSSIHNKKN-OLZOCXBDSA-N
XLogP0.55
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-3-hydroxy-2-piperidin-1-ylhexyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3S)-3-hydroxy-2-piperidin-1-ylhexyl]pyrimidine-2,4-dione (CID 10827713) is 1-[(2R,3S)-3-hydroxy-2-piperidin-1-ylhexyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3S)-3-hydroxy-2-piperidin-1-ylhexyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3S)-3-hydroxy-2-piperidin-1-ylhexyl]pyrimidine-2,4-dione is CCC[C@H](O)[C@@H](Cn1ccc(=O)[nH]c1=O)N1CCCCC1.
What is the InChIKey of 1-[(2R,3S)-3-hydroxy-2-piperidin-1-ylhexyl]pyrimidine-2,4-dione?
The InChIKey is RVKWLGSSIHNKKN-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-2-6-13(19)12(17-8-4-3-5-9-17)11-18-10-7-14(20)16-15(18)21/h7,10,12-13,19H,2-6,8-9,11H2,1H3,(H,16,20,21)/t12-,13+/m1/s1.
What are the key properties of 1-[(2R,3S)-3-hydroxy-2-piperidin-1-ylhexyl]pyrimidine-2,4-dione?
1-[(2R,3S)-3-hydroxy-2-piperidin-1-ylhexyl]pyrimidine-2,4-dione has a molecular weight of 295.38 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S)-3-hydroxy-2-piperidin-1-ylhexyl]pyrimidine-2,4-dione is sourced from PubChem (CID 10827713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).