N-(3-ethoxypropyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide

C15H28N6O2 — CID 25460057

IUPACN-(3-ethoxypropyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
SMILESCCOCCCNC(=O)Cn1nnnc1CN1CCC(C)CC1
InChIInChI=1S/C15H28N6O2/c1-3-23-10-4-7-16-15(22)12-21-14(17-18-19-21)11-20-8-5-13(2)6-9-20/h13H,3-12H2,1-2H3,(H,16,22)
InChIKeyUKAXRABPBJMUDD-UHFFFAOYSA-N
MW324.43 g/mol
LogP0.45
Rot. Bonds9

About N-(3-ethoxypropyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide

N-(3-ethoxypropyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide (PubChem CID 25460057) has the molecular formula C15H28N6O2 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
PubChem CID25460057
Molecular FormulaC15H28N6O2
Molecular Weight324.43 g/mol
Exact Mass324.23
IUPAC NameN-(3-ethoxypropyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
SMILESCCOCCCNC(=O)Cn1nnnc1CN1CCC(C)CC1
InChIInChI=1S/C15H28N6O2/c1-3-23-10-4-7-16-15(22)12-21-14(17-18-19-21)11-20-8-5-13(2)6-9-20/h13H,3-12H2,1-2H3,(H,16,22)
InChIKeyUKAXRABPBJMUDD-UHFFFAOYSA-N
XLogP0.45
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide (CID 25460057) is N-(3-ethoxypropyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide is CCOCCCNC(=O)Cn1nnnc1CN1CCC(C)CC1.
What is the InChIKey of N-(3-ethoxypropyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
The InChIKey is UKAXRABPBJMUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6O2/c1-3-23-10-4-7-16-15(22)12-21-14(17-18-19-21)11-20-8-5-13(2)6-9-20/h13H,3-12H2,1-2H3,(H,16,22).
What are the key properties of N-(3-ethoxypropyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
N-(3-ethoxypropyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide has a molecular weight of 324.43 g/mol, XLogP of 0.45, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide is sourced from PubChem (CID 25460057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).