N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-piperidin-1-ylacetamide

C18H31N5O3 — CID 8520273

IUPACN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-piperidin-1-ylacetamide
SMILESCCCCN(C(=O)CN1CCCCC1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C18H31N5O3/c1-3-5-12-22(14(24)13-21-10-7-6-8-11-21)15-16(19)23(9-4-2)18(26)20-17(15)25/h3-13,19H2,1-2H3,(H,20,25,26)
InChIKeySXQLLVMGWREZJE-UHFFFAOYSA-N
MW365.48 g/mol
LogP1.15
Rot. Bonds8

About N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-piperidin-1-ylacetamide

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-piperidin-1-ylacetamide (PubChem CID 8520273) has the molecular formula C18H31N5O3 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-piperidin-1-ylacetamide
PubChem CID8520273
Molecular FormulaC18H31N5O3
Molecular Weight365.48 g/mol
Exact Mass365.24
IUPAC NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-piperidin-1-ylacetamide
SMILESCCCCN(C(=O)CN1CCCCC1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C18H31N5O3/c1-3-5-12-22(14(24)13-21-10-7-6-8-11-21)15-16(19)23(9-4-2)18(26)20-17(15)25/h3-13,19H2,1-2H3,(H,20,25,26)
InChIKeySXQLLVMGWREZJE-UHFFFAOYSA-N
XLogP1.15
TPSA104.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-piperidin-1-ylacetamide?
The IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-piperidin-1-ylacetamide (CID 8520273) is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-piperidin-1-ylacetamide?
The canonical SMILES for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-piperidin-1-ylacetamide is CCCCN(C(=O)CN1CCCCC1)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-piperidin-1-ylacetamide?
The InChIKey is SXQLLVMGWREZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O3/c1-3-5-12-22(14(24)13-21-10-7-6-8-11-21)15-16(19)23(9-4-2)18(26)20-17(15)25/h3-13,19H2,1-2H3,(H,20,25,26).
What are the key properties of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-piperidin-1-ylacetamide?
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-piperidin-1-ylacetamide has a molecular weight of 365.48 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 6 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-piperidin-1-ylacetamide is sourced from PubChem (CID 8520273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).