N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-(tetrazol-1-yl)benzamide

C18H26N6O — CID 580174

IUPACN-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-(tetrazol-1-yl)benzamide
SMILESCN(C(=O)c1ccc(-n2cnnn2)cc1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C18H26N6O/c1-17(2)10-15(11-18(3,4)20-17)23(5)16(25)13-6-8-14(9-7-13)24-12-19-21-22-24/h6-9,12,15,20H,10-11H2,1-5H3
InChIKeyPKIZKBMIDVWXTE-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.04
Rot. Bonds3

About N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-(tetrazol-1-yl)benzamide

N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-(tetrazol-1-yl)benzamide (PubChem CID 580174) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-(tetrazol-1-yl)benzamide
PubChem CID580174
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC NameN-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-(tetrazol-1-yl)benzamide
SMILESCN(C(=O)c1ccc(-n2cnnn2)cc1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C18H26N6O/c1-17(2)10-15(11-18(3,4)20-17)23(5)16(25)13-6-8-14(9-7-13)24-12-19-21-22-24/h6-9,12,15,20H,10-11H2,1-5H3
InChIKeyPKIZKBMIDVWXTE-UHFFFAOYSA-N
XLogP2.04
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-(tetrazol-1-yl)benzamide (CID 580174) is N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-(tetrazol-1-yl)benzamide is CN(C(=O)c1ccc(-n2cnnn2)cc1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-(tetrazol-1-yl)benzamide?
The InChIKey is PKIZKBMIDVWXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-17(2)10-15(11-18(3,4)20-17)23(5)16(25)13-6-8-14(9-7-13)24-12-19-21-22-24/h6-9,12,15,20H,10-11H2,1-5H3.
What are the key properties of N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-(tetrazol-1-yl)benzamide?
N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-(tetrazol-1-yl)benzamide has a molecular weight of 342.45 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 580174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).