N-butyl-2-[4-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]piperazin-1-yl]acetamide

C18H29N5O4 — CID 35359211

IUPACN-butyl-2-[4-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]piperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(C(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C18H29N5O4/c1-3-4-7-19-15(24)12-22-8-10-23(11-9-22)16(25)6-5-14-13(2)20-18(27)21-17(14)26/h3-12H2,1-2H3,(H,19,24)(H2,20,21,26,27)
InChIKeyGMLFIEVBGFXVTK-UHFFFAOYSA-N
MW379.46 g/mol
LogP-0.64
Rot. Bonds8

About N-butyl-2-[4-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]piperazin-1-yl]acetamide

N-butyl-2-[4-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]piperazin-1-yl]acetamide (PubChem CID 35359211) has the molecular formula C18H29N5O4 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-butyl-2-[4-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]piperazin-1-yl]acetamide
PubChem CID35359211
Molecular FormulaC18H29N5O4
Molecular Weight379.46 g/mol
Exact Mass379.22
IUPAC NameN-butyl-2-[4-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]piperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(C(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C18H29N5O4/c1-3-4-7-19-15(24)12-22-8-10-23(11-9-22)16(25)6-5-14-13(2)20-18(27)21-17(14)26/h3-12H2,1-2H3,(H,19,24)(H2,20,21,26,27)
InChIKeyGMLFIEVBGFXVTK-UHFFFAOYSA-N
XLogP-0.64
TPSA118.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-butyl-2-[4-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]piperazin-1-yl]acetamide (CID 35359211) is N-butyl-2-[4-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[4-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[4-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]piperazin-1-yl]acetamide is CCCCNC(=O)CN1CCN(C(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of N-butyl-2-[4-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]piperazin-1-yl]acetamide?
The InChIKey is GMLFIEVBGFXVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O4/c1-3-4-7-19-15(24)12-22-8-10-23(11-9-22)16(25)6-5-14-13(2)20-18(27)21-17(14)26/h3-12H2,1-2H3,(H,19,24)(H2,20,21,26,27).
What are the key properties of N-butyl-2-[4-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]piperazin-1-yl]acetamide?
N-butyl-2-[4-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]piperazin-1-yl]acetamide has a molecular weight of 379.46 g/mol, XLogP of -0.64, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 35359211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).