1-methyl-5-[(1-phenyltetrazol-5-yl)amino]piperidin-2-one

C13H16N6O — CID 64670207

IUPAC1-methyl-5-[(1-phenyltetrazol-5-yl)amino]piperidin-2-one
SMILESCN1CC(Nc2nnnn2-c2ccccc2)CCC1=O
InChIInChI=1S/C13H16N6O/c1-18-9-10(7-8-12(18)20)14-13-15-16-17-19(13)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,14,15,17)
InChIKeyUWWGQEGMXWDAJY-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.69
Rot. Bonds3

About 1-methyl-5-[(1-phenyltetrazol-5-yl)amino]piperidin-2-one

1-methyl-5-[(1-phenyltetrazol-5-yl)amino]piperidin-2-one (PubChem CID 64670207) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-methyl-5-[(1-phenyltetrazol-5-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-[(1-phenyltetrazol-5-yl)amino]piperidin-2-one
PubChem CID64670207
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name1-methyl-5-[(1-phenyltetrazol-5-yl)amino]piperidin-2-one
SMILESCN1CC(Nc2nnnn2-c2ccccc2)CCC1=O
InChIInChI=1S/C13H16N6O/c1-18-9-10(7-8-12(18)20)14-13-15-16-17-19(13)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,14,15,17)
InChIKeyUWWGQEGMXWDAJY-UHFFFAOYSA-N
XLogP0.69
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(1-phenyltetrazol-5-yl)amino]piperidin-2-one?
The IUPAC name of 1-methyl-5-[(1-phenyltetrazol-5-yl)amino]piperidin-2-one (CID 64670207) is 1-methyl-5-[(1-phenyltetrazol-5-yl)amino]piperidin-2-one.
What is the SMILES notation for 1-methyl-5-[(1-phenyltetrazol-5-yl)amino]piperidin-2-one?
The canonical SMILES for 1-methyl-5-[(1-phenyltetrazol-5-yl)amino]piperidin-2-one is CN1CC(Nc2nnnn2-c2ccccc2)CCC1=O.
What is the InChIKey of 1-methyl-5-[(1-phenyltetrazol-5-yl)amino]piperidin-2-one?
The InChIKey is UWWGQEGMXWDAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-18-9-10(7-8-12(18)20)14-13-15-16-17-19(13)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,14,15,17).
What are the key properties of 1-methyl-5-[(1-phenyltetrazol-5-yl)amino]piperidin-2-one?
1-methyl-5-[(1-phenyltetrazol-5-yl)amino]piperidin-2-one has a molecular weight of 272.31 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(1-phenyltetrazol-5-yl)amino]piperidin-2-one is sourced from PubChem (CID 64670207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).