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

C12H14ClN7O — CID 62869313

IUPAC1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2nc(Cl)nc(-n3ccnc3)n2)C1
InChIInChI=1S/C12H14ClN7O/c13-10-16-11(18-12(17-10)20-5-3-15-7-20)19-4-1-2-8(6-19)9(14)21/h3,5,7-8H,1-2,4,6H2,(H2,14,21)
InChIKeyZJLHPTVJRPINDC-UHFFFAOYSA-N
MW307.75 g/mol
LogP0.41
Rot. Bonds3

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

1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidine-3-carboxamide (PubChem CID 62869313) has the molecular formula C12H14ClN7O and a molecular weight of 307.75 g/mol. Its IUPAC name is 1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidine-3-carboxamide
PubChem CID62869313
Molecular FormulaC12H14ClN7O
Molecular Weight307.75 g/mol
Exact Mass307.09
IUPAC Name1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2nc(Cl)nc(-n3ccnc3)n2)C1
InChIInChI=1S/C12H14ClN7O/c13-10-16-11(18-12(17-10)20-5-3-15-7-20)19-4-1-2-8(6-19)9(14)21/h3,5,7-8H,1-2,4,6H2,(H2,14,21)
InChIKeyZJLHPTVJRPINDC-UHFFFAOYSA-N
XLogP0.41
TPSA102.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]methanol
CID 62864398
2-chloro-4-imidazol-1-yl-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazine
CID 62865112
1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide
CID 62857822
2-chloro-4-(3,4-dimethylpiperazin-1-yl)-6-imidazol-1-yl-1,3,5-triazine
CID 63605104
1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide
CID 62859553
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
(3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7353330
4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)morpholine-3-carboxamide
CID 83098938
2-chloro-4-imidazol-1-yl-6-(2-methylpyrrolidin-1-yl)-1,3,5-triazine
CID 55125230
4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-1-methyl-1,4-diazepan-2-one
CID 102891460
2-[1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol
CID 107229330
2-chloro-4-imidazol-1-yl-6-(3,4,5-trimethylpiperazin-1-yl)-1,3,5-triazine
CID 114539087

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidine-3-carboxamide (CID 62869313) is 1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidine-3-carboxamide is NC(=O)C1CCCN(c2nc(Cl)nc(-n3ccnc3)n2)C1.
What is the InChIKey of 1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidine-3-carboxamide?
The InChIKey is ZJLHPTVJRPINDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN7O/c13-10-16-11(18-12(17-10)20-5-3-15-7-20)19-4-1-2-8(6-19)9(14)21/h3,5,7-8H,1-2,4,6H2,(H2,14,21).
What are the key properties of 1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidine-3-carboxamide?
1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidine-3-carboxamide has a molecular weight of 307.75 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 62869313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).