2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]acetamide

C15H20N6O — CID 1462968

IUPAC2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]acetamide
SMILESNC(=O)Cn1nnc(-c2ccc(CN3CCCCC3)cc2)n1
InChIInChI=1S/C15H20N6O/c16-14(22)11-21-18-15(17-19-21)13-6-4-12(5-7-13)10-20-8-2-1-3-9-20/h4-7H,1-3,8-11H2,(H2,16,22)
InChIKeyCUWHGTJRNRWUCE-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.81
Rot. Bonds5

About 2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]acetamide

2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]acetamide (PubChem CID 1462968) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]acetamide
PubChem CID1462968
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]acetamide
SMILESNC(=O)Cn1nnc(-c2ccc(CN3CCCCC3)cc2)n1
InChIInChI=1S/C15H20N6O/c16-14(22)11-21-18-15(17-19-21)13-6-4-12(5-7-13)10-20-8-2-1-3-9-20/h4-7H,1-3,8-11H2,(H2,16,22)
InChIKeyCUWHGTJRNRWUCE-UHFFFAOYSA-N
XLogP0.81
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]acetamide?
The IUPAC name of 2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]acetamide (CID 1462968) is 2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]acetamide.
What is the SMILES notation for 2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]acetamide?
The canonical SMILES for 2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]acetamide is NC(=O)Cn1nnc(-c2ccc(CN3CCCCC3)cc2)n1.
What is the InChIKey of 2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]acetamide?
The InChIKey is CUWHGTJRNRWUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c16-14(22)11-21-18-15(17-19-21)13-6-4-12(5-7-13)10-20-8-2-1-3-9-20/h4-7H,1-3,8-11H2,(H2,16,22).
What are the key properties of 2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]acetamide?
2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]acetamide has a molecular weight of 300.37 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]acetamide is sourced from PubChem (CID 1462968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).