N-[1-(1,3,5-triazin-2-yl)piperidin-4-yl]propanamide

C11H17N5O — CID 173123151

IUPACN-[1-(1,3,5-triazin-2-yl)piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(c2ncncn2)CC1
InChIInChI=1S/C11H17N5O/c1-2-10(17)15-9-3-5-16(6-4-9)11-13-7-12-8-14-11/h7-9H,2-6H2,1H3,(H,15,17)
InChIKeyKBZAWFVSNWYAKJ-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.37
Rot. Bonds3

About N-[1-(1,3,5-triazin-2-yl)piperidin-4-yl]propanamide

N-[1-(1,3,5-triazin-2-yl)piperidin-4-yl]propanamide (PubChem CID 173123151) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[1-(1,3,5-triazin-2-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-(1,3,5-triazin-2-yl)piperidin-4-yl]propanamide
PubChem CID173123151
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC NameN-[1-(1,3,5-triazin-2-yl)piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(c2ncncn2)CC1
InChIInChI=1S/C11H17N5O/c1-2-10(17)15-9-3-5-16(6-4-9)11-13-7-12-8-14-11/h7-9H,2-6H2,1H3,(H,15,17)
InChIKeyKBZAWFVSNWYAKJ-UHFFFAOYSA-N
XLogP0.37
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3,5-triazin-2-yl)piperidin-4-yl]propanamide?
The IUPAC name of N-[1-(1,3,5-triazin-2-yl)piperidin-4-yl]propanamide (CID 173123151) is N-[1-(1,3,5-triazin-2-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[1-(1,3,5-triazin-2-yl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[1-(1,3,5-triazin-2-yl)piperidin-4-yl]propanamide is CCC(=O)NC1CCN(c2ncncn2)CC1.
What is the InChIKey of N-[1-(1,3,5-triazin-2-yl)piperidin-4-yl]propanamide?
The InChIKey is KBZAWFVSNWYAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-2-10(17)15-9-3-5-16(6-4-9)11-13-7-12-8-14-11/h7-9H,2-6H2,1H3,(H,15,17).
What are the key properties of N-[1-(1,3,5-triazin-2-yl)piperidin-4-yl]propanamide?
N-[1-(1,3,5-triazin-2-yl)piperidin-4-yl]propanamide has a molecular weight of 235.29 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3,5-triazin-2-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 173123151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).