N-methyl-N-(1-methylpiperidin-4-yl)-2H-benzotriazole-5-carboxamide

C14H19N5O — CID 110468852

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-2H-benzotriazole-5-carboxamide
SMILESCN1CCC(N(C)C(=O)c2ccc3n[nH]nc3c2)CC1
InChIInChI=1S/C14H19N5O/c1-18-7-5-11(6-8-18)19(2)14(20)10-3-4-12-13(9-10)16-17-15-12/h3-4,9,11H,5-8H2,1-2H3,(H,15,16,17)
InChIKeyRGWZVEJLUFPZDA-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.12
Rot. Bonds2

About N-methyl-N-(1-methylpiperidin-4-yl)-2H-benzotriazole-5-carboxamide

N-methyl-N-(1-methylpiperidin-4-yl)-2H-benzotriazole-5-carboxamide (PubChem CID 110468852) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-2H-benzotriazole-5-carboxamide
PubChem CID110468852
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-2H-benzotriazole-5-carboxamide
SMILESCN1CCC(N(C)C(=O)c2ccc3n[nH]nc3c2)CC1
InChIInChI=1S/C14H19N5O/c1-18-7-5-11(6-8-18)19(2)14(20)10-3-4-12-13(9-10)16-17-15-12/h3-4,9,11H,5-8H2,1-2H3,(H,15,16,17)
InChIKeyRGWZVEJLUFPZDA-UHFFFAOYSA-N
XLogP1.12
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydroxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 103955316
N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 39902838
2-(hydroxymethyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 115116082
4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43333302
3-cyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 24706025
4-hydroxy-3-[2-[[2-hydroxy-5-[methyl-(1-methylpiperidin-4-yl)carbamoyl]phenyl]methylideneamino]ethyliminomethyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;iron(3+)
CID 135952370
N-methyl-N-(1-methylpiperidin-4-yl)-3-propan-2-yloxybenzamide
CID 170788099
3,5-dibromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 113349444
4-isocyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 123781612
N-methyl-N-(1-methylpiperidin-4-yl)-6-phenylpyridine-3-carboxamide
CID 42802995
N-(2-hydroxyethyl)-N-methyl-2H-benzotriazole-5-carboxamide
CID 60740284
N-cyclohexyl-N-methyl-2,1,3-benzoxadiazole-5-carboxamide
CID 25103066

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-2H-benzotriazole-5-carboxamide (CID 110468852) is N-methyl-N-(1-methylpiperidin-4-yl)-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-2H-benzotriazole-5-carboxamide is CN1CCC(N(C)C(=O)c2ccc3n[nH]nc3c2)CC1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-2H-benzotriazole-5-carboxamide?
The InChIKey is RGWZVEJLUFPZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-18-7-5-11(6-8-18)19(2)14(20)10-3-4-12-13(9-10)16-17-15-12/h3-4,9,11H,5-8H2,1-2H3,(H,15,16,17).
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-2H-benzotriazole-5-carboxamide?
N-methyl-N-(1-methylpiperidin-4-yl)-2H-benzotriazole-5-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 110468852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).