2-methyl-N-(4-piperidin-1-yl-1,3,5-triazin-2-yl)butanamide

C13H21N5O — CID 43832542

IUPAC2-methyl-N-(4-piperidin-1-yl-1,3,5-triazin-2-yl)butanamide
SMILESCCC(C)C(=O)Nc1ncnc(N2CCCCC2)n1
InChIInChI=1S/C13H21N5O/c1-3-10(2)11(19)16-12-14-9-15-13(17-12)18-7-5-4-6-8-18/h9-10H,3-8H2,1-2H3,(H,14,15,16,17,19)
InChIKeyKFVFCNSVTHQBLO-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.85
Rot. Bonds4

About 2-methyl-N-(4-piperidin-1-yl-1,3,5-triazin-2-yl)butanamide

2-methyl-N-(4-piperidin-1-yl-1,3,5-triazin-2-yl)butanamide (PubChem CID 43832542) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-methyl-N-(4-piperidin-1-yl-1,3,5-triazin-2-yl)butanamide.

Molecular Properties

Compound Name2-methyl-N-(4-piperidin-1-yl-1,3,5-triazin-2-yl)butanamide
PubChem CID43832542
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-methyl-N-(4-piperidin-1-yl-1,3,5-triazin-2-yl)butanamide
SMILESCCC(C)C(=O)Nc1ncnc(N2CCCCC2)n1
InChIInChI=1S/C13H21N5O/c1-3-10(2)11(19)16-12-14-9-15-13(17-12)18-7-5-4-6-8-18/h9-10H,3-8H2,1-2H3,(H,14,15,16,17,19)
InChIKeyKFVFCNSVTHQBLO-UHFFFAOYSA-N
XLogP1.85
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-piperidin-1-yl-1,3,5-triazin-2-yl)butanamide?
The IUPAC name of 2-methyl-N-(4-piperidin-1-yl-1,3,5-triazin-2-yl)butanamide (CID 43832542) is 2-methyl-N-(4-piperidin-1-yl-1,3,5-triazin-2-yl)butanamide.
What is the SMILES notation for 2-methyl-N-(4-piperidin-1-yl-1,3,5-triazin-2-yl)butanamide?
The canonical SMILES for 2-methyl-N-(4-piperidin-1-yl-1,3,5-triazin-2-yl)butanamide is CCC(C)C(=O)Nc1ncnc(N2CCCCC2)n1.
What is the InChIKey of 2-methyl-N-(4-piperidin-1-yl-1,3,5-triazin-2-yl)butanamide?
The InChIKey is KFVFCNSVTHQBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-3-10(2)11(19)16-12-14-9-15-13(17-12)18-7-5-4-6-8-18/h9-10H,3-8H2,1-2H3,(H,14,15,16,17,19).
What are the key properties of 2-methyl-N-(4-piperidin-1-yl-1,3,5-triazin-2-yl)butanamide?
2-methyl-N-(4-piperidin-1-yl-1,3,5-triazin-2-yl)butanamide has a molecular weight of 263.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-piperidin-1-yl-1,3,5-triazin-2-yl)butanamide is sourced from PubChem (CID 43832542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).