N-[2-(diethylamino)ethyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide

C17H33N7O — CID 26394252

IUPACN-[2-(diethylamino)ethyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
SMILESCCN(CC)CCN(C)C(=O)Cn1nnnc1CN1CCC(C)CC1
InChIInChI=1S/C17H33N7O/c1-5-22(6-2)12-11-21(4)17(25)14-24-16(18-19-20-24)13-23-9-7-15(3)8-10-23/h15H,5-14H2,1-4H3
InChIKeyVONLIRLDRRWXQF-UHFFFAOYSA-N
MW351.50 g/mol
LogP0.71
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide

N-[2-(diethylamino)ethyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide (PubChem CID 26394252) has the molecular formula C17H33N7O and a molecular weight of 351.50 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
PubChem CID26394252
Molecular FormulaC17H33N7O
Molecular Weight351.50 g/mol
Exact Mass351.27
IUPAC NameN-[2-(diethylamino)ethyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
SMILESCCN(CC)CCN(C)C(=O)Cn1nnnc1CN1CCC(C)CC1
InChIInChI=1S/C17H33N7O/c1-5-22(6-2)12-11-21(4)17(25)14-24-16(18-19-20-24)13-23-9-7-15(3)8-10-23/h15H,5-14H2,1-4H3
InChIKeyVONLIRLDRRWXQF-UHFFFAOYSA-N
XLogP0.71
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide (CID 26394252) is N-[2-(diethylamino)ethyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide is CCN(CC)CCN(C)C(=O)Cn1nnnc1CN1CCC(C)CC1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
The InChIKey is VONLIRLDRRWXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N7O/c1-5-22(6-2)12-11-21(4)17(25)14-24-16(18-19-20-24)13-23-9-7-15(3)8-10-23/h15H,5-14H2,1-4H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
N-[2-(diethylamino)ethyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide has a molecular weight of 351.50 g/mol, XLogP of 0.71, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide is sourced from PubChem (CID 26394252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).