N-butyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide

C16H26N4O — CID 3223312

IUPACN-butyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(c2nc(C)cc(C)n2)CC1
InChIInChI=1S/C16H26N4O/c1-4-5-8-17-15(21)14-6-9-20(10-7-14)16-18-12(2)11-13(3)19-16/h11,14H,4-10H2,1-3H3,(H,17,21)
InChIKeyZNIATXBCTQIYMM-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.23
Rot. Bonds5

About N-butyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide

N-butyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 3223312) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-butyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID3223312
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-butyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(c2nc(C)cc(C)n2)CC1
InChIInChI=1S/C16H26N4O/c1-4-5-8-17-15(21)14-6-9-20(10-7-14)16-18-12(2)11-13(3)19-16/h11,14H,4-10H2,1-3H3,(H,17,21)
InChIKeyZNIATXBCTQIYMM-UHFFFAOYSA-N
XLogP2.23
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide (CID 3223312) is N-butyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide is CCCCNC(=O)C1CCN(c2nc(C)cc(C)n2)CC1.
What is the InChIKey of N-butyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is ZNIATXBCTQIYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-5-8-17-15(21)14-6-9-20(10-7-14)16-18-12(2)11-13(3)19-16/h11,14H,4-10H2,1-3H3,(H,17,21).
What are the key properties of N-butyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
N-butyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 3223312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).