N-butyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide

C16H26N4O3 — CID 53010386

IUPACN-butyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(c2cc(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C16H26N4O3/c1-4-5-8-17-15(22)12-7-6-9-20(11-12)13-10-14(21)19(3)16(23)18(13)2/h10,12H,4-9,11H2,1-3H3,(H,17,22)
InChIKeyNXEIAJCGWNQFDL-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.22
Rot. Bonds5

About N-butyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide

N-butyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 53010386) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-butyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID53010386
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC NameN-butyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(c2cc(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C16H26N4O3/c1-4-5-8-17-15(22)12-7-6-9-20(11-12)13-10-14(21)19(3)16(23)18(13)2/h10,12H,4-9,11H2,1-3H3,(H,17,22)
InChIKeyNXEIAJCGWNQFDL-UHFFFAOYSA-N
XLogP0.22
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-butyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-butyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide (CID 53010386) is N-butyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-butyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide is CCCCNC(=O)C1CCCN(c2cc(=O)n(C)c(=O)n2C)C1.
What is the InChIKey of N-butyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is NXEIAJCGWNQFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-4-5-8-17-15(22)12-7-6-9-20(11-12)13-10-14(21)19(3)16(23)18(13)2/h10,12H,4-9,11H2,1-3H3,(H,17,22).
What are the key properties of N-butyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide?
N-butyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53010386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).