(3R)-3-cyano-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide

C11H16N6O — CID 126442687

IUPAC(3R)-3-cyano-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
SMILESCc1nc(CNC(=O)N2CCC[C@@H](C#N)C2)n[nH]1
InChIInChI=1S/C11H16N6O/c1-8-14-10(16-15-8)6-13-11(18)17-4-2-3-9(5-12)7-17/h9H,2-4,6-7H2,1H3,(H,13,18)(H,14,15,16)/t9-/m0/s1
InChIKeyYVNWKICTQPREQP-VIFPVBQESA-N
MW248.29 g/mol
LogP0.56
Rot. Bonds2

About (3R)-3-cyano-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide

(3R)-3-cyano-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide (PubChem CID 126442687) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is (3R)-3-cyano-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-cyano-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
PubChem CID126442687
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name(3R)-3-cyano-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
SMILESCc1nc(CNC(=O)N2CCC[C@@H](C#N)C2)n[nH]1
InChIInChI=1S/C11H16N6O/c1-8-14-10(16-15-8)6-13-11(18)17-4-2-3-9(5-12)7-17/h9H,2-4,6-7H2,1H3,(H,13,18)(H,14,15,16)/t9-/m0/s1
InChIKeyYVNWKICTQPREQP-VIFPVBQESA-N
XLogP0.56
TPSA97.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-cyano-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide with MolForge

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Related Compounds

(3S)-3-cyano-N-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidine-1-carboxamide
CID 126445546
(3R)-3-(methylsulfanylmethyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
CID 126447123
(3S)-3-cyano-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-1-carboxamide
CID 126434903
(3R)-3-cyano-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-1-carboxamide
CID 126434904
2-(3-hydroxypiperidin-1-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 86283968
(3R)-3-cyano-N-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 126452602
(3S)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-hydroxypiperidine-1-carboxamide
CID 126433362
3-(dimethylamino)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-1-carboxamide
CID 128684988
1-acetylpiperidine-3-carbonitrile;ethane
CID 145255147
3-cyano-N-[3-(2-ethylimidazol-1-yl)propyl]piperidine-1-carboxamide
CID 121495545
(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
CID 125138168
3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
CID 119072353

Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyano-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-cyano-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide (CID 126442687) is (3R)-3-cyano-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-cyano-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-cyano-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide is Cc1nc(CNC(=O)N2CCC[C@@H](C#N)C2)n[nH]1.
What is the InChIKey of (3R)-3-cyano-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide?
The InChIKey is YVNWKICTQPREQP-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N6O/c1-8-14-10(16-15-8)6-13-11(18)17-4-2-3-9(5-12)7-17/h9H,2-4,6-7H2,1H3,(H,13,18)(H,14,15,16)/t9-/m0/s1.
What are the key properties of (3R)-3-cyano-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide?
(3R)-3-cyano-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyano-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 126442687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).