N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(3-hydroxypiperidin-1-yl)acetamide

C18H31N5O4 — CID 18281470

IUPACN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(3-hydroxypiperidin-1-yl)acetamide
SMILESCCCCN(C(=O)CN1CCCC(O)C1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C18H31N5O4/c1-3-5-10-22(14(25)12-21-9-6-7-13(24)11-21)15-16(19)23(8-4-2)18(27)20-17(15)26/h13,24H,3-12,19H2,1-2H3,(H,20,26,27)
InChIKeyCJOZLWUMYSOEAI-UHFFFAOYSA-N
MW381.48 g/mol
LogP0.12
Rot. Bonds8

About N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(3-hydroxypiperidin-1-yl)acetamide

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(3-hydroxypiperidin-1-yl)acetamide (PubChem CID 18281470) has the molecular formula C18H31N5O4 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(3-hydroxypiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(3-hydroxypiperidin-1-yl)acetamide
PubChem CID18281470
Molecular FormulaC18H31N5O4
Molecular Weight381.48 g/mol
Exact Mass381.24
IUPAC NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(3-hydroxypiperidin-1-yl)acetamide
SMILESCCCCN(C(=O)CN1CCCC(O)C1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C18H31N5O4/c1-3-5-10-22(14(25)12-21-9-6-7-13(24)11-21)15-16(19)23(8-4-2)18(27)20-17(15)26/h13,24H,3-12,19H2,1-2H3,(H,20,26,27)
InChIKeyCJOZLWUMYSOEAI-UHFFFAOYSA-N
XLogP0.12
TPSA124.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(3-hydroxypiperidin-1-yl)acetamide?
The IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(3-hydroxypiperidin-1-yl)acetamide (CID 18281470) is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(3-hydroxypiperidin-1-yl)acetamide.
What is the SMILES notation for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(3-hydroxypiperidin-1-yl)acetamide?
The canonical SMILES for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(3-hydroxypiperidin-1-yl)acetamide is CCCCN(C(=O)CN1CCCC(O)C1)c1c(N)n(CCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(3-hydroxypiperidin-1-yl)acetamide?
The InChIKey is CJOZLWUMYSOEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O4/c1-3-5-10-22(14(25)12-21-9-6-7-13(24)11-21)15-16(19)23(8-4-2)18(27)20-17(15)26/h13,24H,3-12,19H2,1-2H3,(H,20,26,27).
What are the key properties of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(3-hydroxypiperidin-1-yl)acetamide?
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(3-hydroxypiperidin-1-yl)acetamide has a molecular weight of 381.48 g/mol, XLogP of 0.12, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(3-hydroxypiperidin-1-yl)acetamide is sourced from PubChem (CID 18281470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).