1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidine-2-carboxamide

C9H11Cl2N5O — CID 62868559

IUPAC1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H11Cl2N5O/c10-7-13-8(11)15-9(14-7)16-4-2-1-3-5(16)6(12)17/h5H,1-4H2,(H2,12,17)
InChIKeyASIMVNBMHCNQGX-UHFFFAOYSA-N
MW276.13 g/mol
LogP1.02
Rot. Bonds2

About 1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidine-2-carboxamide

1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidine-2-carboxamide (PubChem CID 62868559) has the molecular formula C9H11Cl2N5O and a molecular weight of 276.13 g/mol. Its IUPAC name is 1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidine-2-carboxamide
PubChem CID62868559
Molecular FormulaC9H11Cl2N5O
Molecular Weight276.13 g/mol
Exact Mass275.03
IUPAC Name1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H11Cl2N5O/c10-7-13-8(11)15-9(14-7)16-4-2-1-3-5(16)6(12)17/h5H,1-4H2,(H2,12,17)
InChIKeyASIMVNBMHCNQGX-UHFFFAOYSA-N
XLogP1.02
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-2-carboxamide
CID 62858342
1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide
CID 55124177
2-(2-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid
CID 63380093
1-(4-chloro-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 83155605
(2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 70876168
1-(2-methylpyrimidin-4-yl)piperidine-2-carboxamide
CID 110269417
1-(7-chloroquinolin-4-yl)piperidine-2-carboxamide
CID 173119535
(2S)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidine-2-carboxamide
CID 142498380
2-chloro-4,6-bis[(2S)-2-methylpiperidin-1-yl]-1,3,5-triazine
CID 11893825
1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidine-2-carboxamide
CID 62493299
ethyl 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxylate
CID 62858505
1-(4-carbamothioyl-2-chlorophenyl)piperidine-2-carboxamide
CID 55180077

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidine-2-carboxamide?
The IUPAC name of 1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidine-2-carboxamide (CID 62868559) is 1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidine-2-carboxamide?
The canonical SMILES for 1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidine-2-carboxamide is NC(=O)C1CCCCN1c1nc(Cl)nc(Cl)n1.
What is the InChIKey of 1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidine-2-carboxamide?
The InChIKey is ASIMVNBMHCNQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N5O/c10-7-13-8(11)15-9(14-7)16-4-2-1-3-5(16)6(12)17/h5H,1-4H2,(H2,12,17).
What are the key properties of 1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidine-2-carboxamide?
1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidine-2-carboxamide has a molecular weight of 276.13 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidine-2-carboxamide is sourced from PubChem (CID 62868559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).