1-(4-chloro-1,3,5-triazin-2-yl)piperidine-4-carboxamide

C9H12ClN5O — CID 54577220

IUPAC1-(4-chloro-1,3,5-triazin-2-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncnc(Cl)n2)CC1
InChIInChI=1S/C9H12ClN5O/c10-8-12-5-13-9(14-8)15-3-1-6(2-4-15)7(11)16/h5-6H,1-4H2,(H2,11,16)
InChIKeyYGKIYFZUDUNMRY-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.23
Rot. Bonds2

About 1-(4-chloro-1,3,5-triazin-2-yl)piperidine-4-carboxamide

1-(4-chloro-1,3,5-triazin-2-yl)piperidine-4-carboxamide (PubChem CID 54577220) has the molecular formula C9H12ClN5O and a molecular weight of 241.68 g/mol. Its IUPAC name is 1-(4-chloro-1,3,5-triazin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-1,3,5-triazin-2-yl)piperidine-4-carboxamide
PubChem CID54577220
Molecular FormulaC9H12ClN5O
Molecular Weight241.68 g/mol
Exact Mass241.07
IUPAC Name1-(4-chloro-1,3,5-triazin-2-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncnc(Cl)n2)CC1
InChIInChI=1S/C9H12ClN5O/c10-8-12-5-13-9(14-8)15-3-1-6(2-4-15)7(11)16/h5-6H,1-4H2,(H2,11,16)
InChIKeyYGKIYFZUDUNMRY-UHFFFAOYSA-N
XLogP0.23
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1,3,5-triazin-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-chloro-1,3,5-triazin-2-yl)piperidine-4-carboxamide (CID 54577220) is 1-(4-chloro-1,3,5-triazin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chloro-1,3,5-triazin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chloro-1,3,5-triazin-2-yl)piperidine-4-carboxamide is NC(=O)C1CCN(c2ncnc(Cl)n2)CC1.
What is the InChIKey of 1-(4-chloro-1,3,5-triazin-2-yl)piperidine-4-carboxamide?
The InChIKey is YGKIYFZUDUNMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN5O/c10-8-12-5-13-9(14-8)15-3-1-6(2-4-15)7(11)16/h5-6H,1-4H2,(H2,11,16).
What are the key properties of 1-(4-chloro-1,3,5-triazin-2-yl)piperidine-4-carboxamide?
1-(4-chloro-1,3,5-triazin-2-yl)piperidine-4-carboxamide has a molecular weight of 241.68 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1,3,5-triazin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 54577220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).