N-butyl-N-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide

C16H26N4O — CID 53102139

IUPACN-butyl-N-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(c2nccc(C)n2)CC1
InChIInChI=1S/C16H26N4O/c1-4-5-10-19(3)15(21)14-7-11-20(12-8-14)16-17-9-6-13(2)18-16/h6,9,14H,4-5,7-8,10-12H2,1-3H3
InChIKeyKGPUAPOXEYJNJR-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.26
Rot. Bonds5

About N-butyl-N-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide

N-butyl-N-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 53102139) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-butyl-N-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID53102139
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-butyl-N-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(c2nccc(C)n2)CC1
InChIInChI=1S/C16H26N4O/c1-4-5-10-19(3)15(21)14-7-11-20(12-8-14)16-17-9-6-13(2)18-16/h6,9,14H,4-5,7-8,10-12H2,1-3H3
InChIKeyKGPUAPOXEYJNJR-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-butyl-N-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide (CID 53102139) is N-butyl-N-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-butyl-N-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(c2nccc(C)n2)CC1.
What is the InChIKey of N-butyl-N-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is KGPUAPOXEYJNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-5-10-19(3)15(21)14-7-11-20(12-8-14)16-17-9-6-13(2)18-16/h6,9,14H,4-5,7-8,10-12H2,1-3H3.
What are the key properties of N-butyl-N-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
N-butyl-N-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53102139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).