2-methyl-N-[(6-methylpiperidin-3-yl)methyl]triazole-4-carboxamide

C11H19N5O — CID 112735578

IUPAC2-methyl-N-[(6-methylpiperidin-3-yl)methyl]triazole-4-carboxamide
SMILESCC1CCC(CNC(=O)c2cnn(C)n2)CN1
InChIInChI=1S/C11H19N5O/c1-8-3-4-9(5-12-8)6-13-11(17)10-7-14-16(2)15-10/h7-9,12H,3-6H2,1-2H3,(H,13,17)
InChIKeyIBSBWXYCZUQIIU-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.07
Rot. Bonds3

About 2-methyl-N-[(6-methylpiperidin-3-yl)methyl]triazole-4-carboxamide

2-methyl-N-[(6-methylpiperidin-3-yl)methyl]triazole-4-carboxamide (PubChem CID 112735578) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-methyl-N-[(6-methylpiperidin-3-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(6-methylpiperidin-3-yl)methyl]triazole-4-carboxamide
PubChem CID112735578
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-methyl-N-[(6-methylpiperidin-3-yl)methyl]triazole-4-carboxamide
SMILESCC1CCC(CNC(=O)c2cnn(C)n2)CN1
InChIInChI=1S/C11H19N5O/c1-8-3-4-9(5-12-8)6-13-11(17)10-7-14-16(2)15-10/h7-9,12H,3-6H2,1-2H3,(H,13,17)
InChIKeyIBSBWXYCZUQIIU-UHFFFAOYSA-N
XLogP-0.07
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-2-methyltriazole-4-carboxamide
CID 130608801
N-(azetidin-3-yl)-2-methyltriazole-4-carboxamide
CID 126978139
2-hydroxy-N-[(6-methylpiperidin-3-yl)methyl]benzamide
CID 63008147
2,6-difluoro-N-[(6-methylpiperidin-3-yl)methyl]benzamide
CID 63008866
N-[(6-methylpiperidin-3-yl)methyl]propanamide
CID 63007436
3-fluoro-N-[(6-methylpiperidin-3-yl)methyl]benzamide
CID 63007971
N-(2-amino-2-oxoethyl)-2-methyltriazole-4-carboxamide
CID 130519437
2-methoxy-5-methyl-N-[(6-methylpiperidin-3-yl)methyl]benzamide
CID 63009230
2-methoxy-N-[(6-methylpiperidin-3-yl)methyl]acetamide
CID 63007616
N-[(6-methylpiperidin-3-yl)methyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63733501
N-cycloheptyl-2-methyltriazole-4-carboxamide
CID 110691433
N-(cyclopropylmethyl)-1-methylimidazole-4-carboxamide
CID 130626722

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(6-methylpiperidin-3-yl)methyl]triazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[(6-methylpiperidin-3-yl)methyl]triazole-4-carboxamide (CID 112735578) is 2-methyl-N-[(6-methylpiperidin-3-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[(6-methylpiperidin-3-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[(6-methylpiperidin-3-yl)methyl]triazole-4-carboxamide is CC1CCC(CNC(=O)c2cnn(C)n2)CN1.
What is the InChIKey of 2-methyl-N-[(6-methylpiperidin-3-yl)methyl]triazole-4-carboxamide?
The InChIKey is IBSBWXYCZUQIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-8-3-4-9(5-12-8)6-13-11(17)10-7-14-16(2)15-10/h7-9,12H,3-6H2,1-2H3,(H,13,17).
What are the key properties of 2-methyl-N-[(6-methylpiperidin-3-yl)methyl]triazole-4-carboxamide?
2-methyl-N-[(6-methylpiperidin-3-yl)methyl]triazole-4-carboxamide has a molecular weight of 237.31 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(6-methylpiperidin-3-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 112735578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).