3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]piperidin-2-one

C14H18N6O — CID 62093394

IUPAC3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]piperidin-2-one
SMILESCC(NC1CCCNC1=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C14H18N6O/c1-10(17-13-6-3-7-15-14(13)21)11-4-2-5-12(8-11)20-9-16-18-19-20/h2,4-5,8-10,13,17H,3,6-7H2,1H3,(H,15,21)
InChIKeyIAUVHOGWPBECFY-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.59
Rot. Bonds4

About 3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]piperidin-2-one

3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]piperidin-2-one (PubChem CID 62093394) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]piperidin-2-one.

Molecular Properties

Compound Name3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]piperidin-2-one
PubChem CID62093394
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]piperidin-2-one
SMILESCC(NC1CCCNC1=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C14H18N6O/c1-10(17-13-6-3-7-15-14(13)21)11-4-2-5-12(8-11)20-9-16-18-19-20/h2,4-5,8-10,13,17H,3,6-7H2,1H3,(H,15,21)
InChIKeyIAUVHOGWPBECFY-UHFFFAOYSA-N
XLogP0.59
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]piperidin-2-one?
The IUPAC name of 3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]piperidin-2-one (CID 62093394) is 3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]piperidin-2-one.
What is the SMILES notation for 3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]piperidin-2-one?
The canonical SMILES for 3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]piperidin-2-one is CC(NC1CCCNC1=O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of 3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]piperidin-2-one?
The InChIKey is IAUVHOGWPBECFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-10(17-13-6-3-7-15-14(13)21)11-4-2-5-12(8-11)20-9-16-18-19-20/h2,4-5,8-10,13,17H,3,6-7H2,1H3,(H,15,21).
What are the key properties of 3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]piperidin-2-one?
3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]piperidin-2-one has a molecular weight of 286.34 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]piperidin-2-one is sourced from PubChem (CID 62093394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).