2-[(3R,4R)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-hydroxy-3-methylpiperidin-1-yl]acetamide

C15H22N6O4 — CID 110146271

IUPAC2-[(3R,4R)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-hydroxy-3-methylpiperidin-1-yl]acetamide
SMILESCn1c(=O)c2c(ncn2[C@@H]2CCN(CC(N)=O)C[C@@]2(C)O)n(C)c1=O
InChIInChI=1S/C15H22N6O4/c1-15(25)7-20(6-10(16)22)5-4-9(15)21-8-17-12-11(21)13(23)19(3)14(24)18(12)2/h8-9,25H,4-7H2,1-3H3,(H2,16,22)/t9-,15-/m1/s1
InChIKeyBVMJWRQNQNSKEM-RFAUZJTJSA-N
MW350.38 g/mol
LogP-2.08
Rot. Bonds3

About 2-[(3R,4R)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-hydroxy-3-methylpiperidin-1-yl]acetamide

2-[(3R,4R)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-hydroxy-3-methylpiperidin-1-yl]acetamide (PubChem CID 110146271) has the molecular formula C15H22N6O4 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-[(3R,4R)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-hydroxy-3-methylpiperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3R,4R)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-hydroxy-3-methylpiperidin-1-yl]acetamide
PubChem CID110146271
Molecular FormulaC15H22N6O4
Molecular Weight350.38 g/mol
Exact Mass350.17
IUPAC Name2-[(3R,4R)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-hydroxy-3-methylpiperidin-1-yl]acetamide
SMILESCn1c(=O)c2c(ncn2[C@@H]2CCN(CC(N)=O)C[C@@]2(C)O)n(C)c1=O
InChIInChI=1S/C15H22N6O4/c1-15(25)7-20(6-10(16)22)5-4-9(15)21-8-17-12-11(21)13(23)19(3)14(24)18(12)2/h8-9,25H,4-7H2,1-3H3,(H2,16,22)/t9-,15-/m1/s1
InChIKeyBVMJWRQNQNSKEM-RFAUZJTJSA-N
XLogP-2.08
TPSA128.38 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 5-2.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-hydroxy-3-methylpiperidin-1-yl]acetamide?
The IUPAC name of 2-[(3R,4R)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-hydroxy-3-methylpiperidin-1-yl]acetamide (CID 110146271) is 2-[(3R,4R)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-hydroxy-3-methylpiperidin-1-yl]acetamide.
What is the SMILES notation for 2-[(3R,4R)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-hydroxy-3-methylpiperidin-1-yl]acetamide?
The canonical SMILES for 2-[(3R,4R)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-hydroxy-3-methylpiperidin-1-yl]acetamide is Cn1c(=O)c2c(ncn2[C@@H]2CCN(CC(N)=O)C[C@@]2(C)O)n(C)c1=O.
What is the InChIKey of 2-[(3R,4R)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-hydroxy-3-methylpiperidin-1-yl]acetamide?
The InChIKey is BVMJWRQNQNSKEM-RFAUZJTJSA-N. The full InChI is InChI=1S/C15H22N6O4/c1-15(25)7-20(6-10(16)22)5-4-9(15)21-8-17-12-11(21)13(23)19(3)14(24)18(12)2/h8-9,25H,4-7H2,1-3H3,(H2,16,22)/t9-,15-/m1/s1.
What are the key properties of 2-[(3R,4R)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-hydroxy-3-methylpiperidin-1-yl]acetamide?
2-[(3R,4R)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-hydroxy-3-methylpiperidin-1-yl]acetamide has a molecular weight of 350.38 g/mol, XLogP of -2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-hydroxy-3-methylpiperidin-1-yl]acetamide is sourced from PubChem (CID 110146271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).