N-[4-(1-piperidin-4-yltetrazol-5-yl)phenyl]acetamide

C14H18N6O — CID 84759253

IUPACN-[4-(1-piperidin-4-yltetrazol-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nnnn2C2CCNCC2)cc1
InChIInChI=1S/C14H18N6O/c1-10(21)16-12-4-2-11(3-5-12)14-17-18-19-20(14)13-6-8-15-9-7-13/h2-5,13,15H,6-9H2,1H3,(H,16,21)
InChIKeyWQOVUOQXWGCBHX-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.22
Rot. Bonds3

About N-[4-(1-piperidin-4-yltetrazol-5-yl)phenyl]acetamide

N-[4-(1-piperidin-4-yltetrazol-5-yl)phenyl]acetamide (PubChem CID 84759253) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[4-(1-piperidin-4-yltetrazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1-piperidin-4-yltetrazol-5-yl)phenyl]acetamide
PubChem CID84759253
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC NameN-[4-(1-piperidin-4-yltetrazol-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nnnn2C2CCNCC2)cc1
InChIInChI=1S/C14H18N6O/c1-10(21)16-12-4-2-11(3-5-12)14-17-18-19-20(14)13-6-8-15-9-7-13/h2-5,13,15H,6-9H2,1H3,(H,16,21)
InChIKeyWQOVUOQXWGCBHX-UHFFFAOYSA-N
XLogP1.22
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-piperidin-4-yltetrazol-5-yl)phenyl]acetamide?
The IUPAC name of N-[4-(1-piperidin-4-yltetrazol-5-yl)phenyl]acetamide (CID 84759253) is N-[4-(1-piperidin-4-yltetrazol-5-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(1-piperidin-4-yltetrazol-5-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(1-piperidin-4-yltetrazol-5-yl)phenyl]acetamide is CC(=O)Nc1ccc(-c2nnnn2C2CCNCC2)cc1.
What is the InChIKey of N-[4-(1-piperidin-4-yltetrazol-5-yl)phenyl]acetamide?
The InChIKey is WQOVUOQXWGCBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-10(21)16-12-4-2-11(3-5-12)14-17-18-19-20(14)13-6-8-15-9-7-13/h2-5,13,15H,6-9H2,1H3,(H,16,21).
What are the key properties of N-[4-(1-piperidin-4-yltetrazol-5-yl)phenyl]acetamide?
N-[4-(1-piperidin-4-yltetrazol-5-yl)phenyl]acetamide has a molecular weight of 286.34 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-piperidin-4-yltetrazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 84759253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).