3-(5-methyltetrazol-1-yl)-1-(3-piperidin-1-ylazetidin-1-yl)propan-1-one

C13H22N6O — CID 91797952

IUPAC3-(5-methyltetrazol-1-yl)-1-(3-piperidin-1-ylazetidin-1-yl)propan-1-one
SMILESCc1nnnn1CCC(=O)N1CC(N2CCCCC2)C1
InChIInChI=1S/C13H22N6O/c1-11-14-15-16-19(11)8-5-13(20)18-9-12(10-18)17-6-3-2-4-7-17/h12H,2-10H2,1H3
InChIKeyYZDIKTJGVMJKKC-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.07
Rot. Bonds4

About 3-(5-methyltetrazol-1-yl)-1-(3-piperidin-1-ylazetidin-1-yl)propan-1-one

3-(5-methyltetrazol-1-yl)-1-(3-piperidin-1-ylazetidin-1-yl)propan-1-one (PubChem CID 91797952) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-(5-methyltetrazol-1-yl)-1-(3-piperidin-1-ylazetidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(5-methyltetrazol-1-yl)-1-(3-piperidin-1-ylazetidin-1-yl)propan-1-one
PubChem CID91797952
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name3-(5-methyltetrazol-1-yl)-1-(3-piperidin-1-ylazetidin-1-yl)propan-1-one
SMILESCc1nnnn1CCC(=O)N1CC(N2CCCCC2)C1
InChIInChI=1S/C13H22N6O/c1-11-14-15-16-19(11)8-5-13(20)18-9-12(10-18)17-6-3-2-4-7-17/h12H,2-10H2,1H3
InChIKeyYZDIKTJGVMJKKC-UHFFFAOYSA-N
XLogP0.07
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyltetrazol-1-yl)-1-(3-piperidin-1-ylazetidin-1-yl)propan-1-one?
The IUPAC name of 3-(5-methyltetrazol-1-yl)-1-(3-piperidin-1-ylazetidin-1-yl)propan-1-one (CID 91797952) is 3-(5-methyltetrazol-1-yl)-1-(3-piperidin-1-ylazetidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(5-methyltetrazol-1-yl)-1-(3-piperidin-1-ylazetidin-1-yl)propan-1-one?
The canonical SMILES for 3-(5-methyltetrazol-1-yl)-1-(3-piperidin-1-ylazetidin-1-yl)propan-1-one is Cc1nnnn1CCC(=O)N1CC(N2CCCCC2)C1.
What is the InChIKey of 3-(5-methyltetrazol-1-yl)-1-(3-piperidin-1-ylazetidin-1-yl)propan-1-one?
The InChIKey is YZDIKTJGVMJKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-11-14-15-16-19(11)8-5-13(20)18-9-12(10-18)17-6-3-2-4-7-17/h12H,2-10H2,1H3.
What are the key properties of 3-(5-methyltetrazol-1-yl)-1-(3-piperidin-1-ylazetidin-1-yl)propan-1-one?
3-(5-methyltetrazol-1-yl)-1-(3-piperidin-1-ylazetidin-1-yl)propan-1-one has a molecular weight of 278.36 g/mol, XLogP of 0.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyltetrazol-1-yl)-1-(3-piperidin-1-ylazetidin-1-yl)propan-1-one is sourced from PubChem (CID 91797952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).