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

C15H24N4O — CID 53102161

IUPACN-butyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(c2nccc(C)n2)CC1
InChIInChI=1S/C15H24N4O/c1-3-4-8-16-14(20)13-6-10-19(11-7-13)15-17-9-5-12(2)18-15/h5,9,13H,3-4,6-8,10-11H2,1-2H3,(H,16,20)
InChIKeyPKOXMZJHSAMTGM-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.92
Rot. Bonds5

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

N-butyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 53102161) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-butyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID53102161
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-butyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(c2nccc(C)n2)CC1
InChIInChI=1S/C15H24N4O/c1-3-4-8-16-14(20)13-6-10-19(11-7-13)15-17-9-5-12(2)18-15/h5,9,13H,3-4,6-8,10-11H2,1-2H3,(H,16,20)
InChIKeyPKOXMZJHSAMTGM-UHFFFAOYSA-N
XLogP1.92
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.92
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-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide (CID 53102161) is N-butyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide is CCCCNC(=O)C1CCN(c2nccc(C)n2)CC1.
What is the InChIKey of N-butyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is PKOXMZJHSAMTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-4-8-16-14(20)13-6-10-19(11-7-13)15-17-9-5-12(2)18-15/h5,9,13H,3-4,6-8,10-11H2,1-2H3,(H,16,20).
What are the key properties of N-butyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
N-butyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.92, 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-methylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53102161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).