3-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide

C13H21ClN6O — CID 62862598

IUPAC3-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C13H21ClN6O/c1-19(2)10(21)6-7-15-12-16-11(14)17-13(18-12)20-8-4-3-5-9-20/h3-9H2,1-2H3,(H,15,16,17,18)
InChIKeyBHTPYUGPZJEAFI-UHFFFAOYSA-N
MW312.81 g/mol
LogP1.41
Rot. Bonds5

About 3-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide

3-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide (PubChem CID 62862598) has the molecular formula C13H21ClN6O and a molecular weight of 312.81 g/mol. Its IUPAC name is 3-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide
PubChem CID62862598
Molecular FormulaC13H21ClN6O
Molecular Weight312.81 g/mol
Exact Mass312.15
IUPAC Name3-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C13H21ClN6O/c1-19(2)10(21)6-7-15-12-16-11(14)17-13(18-12)20-8-4-3-5-9-20/h3-9H2,1-2H3,(H,15,16,17,18)
InChIKeyBHTPYUGPZJEAFI-UHFFFAOYSA-N
XLogP1.41
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.81
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide (CID 62862598) is 3-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNc1nc(Cl)nc(N2CCCCC2)n1.
What is the InChIKey of 3-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide?
The InChIKey is BHTPYUGPZJEAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN6O/c1-19(2)10(21)6-7-15-12-16-11(14)17-13(18-12)20-8-4-3-5-9-20/h3-9H2,1-2H3,(H,15,16,17,18).
What are the key properties of 3-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide?
3-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide has a molecular weight of 312.81 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 62862598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).