(6S)-6-(1-tert-butyltetrazol-5-yl)piperidin-2-one

C10H17N5O — CID 125495300

IUPAC(6S)-6-(1-tert-butyltetrazol-5-yl)piperidin-2-one
SMILESCC(C)(C)n1nnnc1[C@@H]1CCCC(=O)N1
InChIInChI=1S/C10H17N5O/c1-10(2,3)15-9(12-13-14-15)7-5-4-6-8(16)11-7/h7H,4-6H2,1-3H3,(H,11,16)/t7-/m0/s1
InChIKeyHNEMYBPFUDDUCW-ZETCQYMHSA-N
MW223.28 g/mol
LogP0.77
Rot. Bonds1

About (6S)-6-(1-tert-butyltetrazol-5-yl)piperidin-2-one

(6S)-6-(1-tert-butyltetrazol-5-yl)piperidin-2-one (PubChem CID 125495300) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is (6S)-6-(1-tert-butyltetrazol-5-yl)piperidin-2-one.

Molecular Properties

Compound Name(6S)-6-(1-tert-butyltetrazol-5-yl)piperidin-2-one
PubChem CID125495300
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name(6S)-6-(1-tert-butyltetrazol-5-yl)piperidin-2-one
SMILESCC(C)(C)n1nnnc1[C@@H]1CCCC(=O)N1
InChIInChI=1S/C10H17N5O/c1-10(2,3)15-9(12-13-14-15)7-5-4-6-8(16)11-7/h7H,4-6H2,1-3H3,(H,11,16)/t7-/m0/s1
InChIKeyHNEMYBPFUDDUCW-ZETCQYMHSA-N
XLogP0.77
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-(1-tert-butyltetrazol-5-yl)piperidin-2-one?
The IUPAC name of (6S)-6-(1-tert-butyltetrazol-5-yl)piperidin-2-one (CID 125495300) is (6S)-6-(1-tert-butyltetrazol-5-yl)piperidin-2-one.
What is the SMILES notation for (6S)-6-(1-tert-butyltetrazol-5-yl)piperidin-2-one?
The canonical SMILES for (6S)-6-(1-tert-butyltetrazol-5-yl)piperidin-2-one is CC(C)(C)n1nnnc1[C@@H]1CCCC(=O)N1.
What is the InChIKey of (6S)-6-(1-tert-butyltetrazol-5-yl)piperidin-2-one?
The InChIKey is HNEMYBPFUDDUCW-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17N5O/c1-10(2,3)15-9(12-13-14-15)7-5-4-6-8(16)11-7/h7H,4-6H2,1-3H3,(H,11,16)/t7-/m0/s1.
What are the key properties of (6S)-6-(1-tert-butyltetrazol-5-yl)piperidin-2-one?
(6S)-6-(1-tert-butyltetrazol-5-yl)piperidin-2-one has a molecular weight of 223.28 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(1-tert-butyltetrazol-5-yl)piperidin-2-one is sourced from PubChem (CID 125495300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).