1-(4-methylpiperidin-1-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone

C14H24N6O2 — CID 24790701

IUPAC1-(4-methylpiperidin-1-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone
SMILESCC1CCN(C(=O)Cn2nnnc2CN2CCOCC2)CC1
InChIInChI=1S/C14H24N6O2/c1-12-2-4-19(5-3-12)14(21)11-20-13(15-16-17-20)10-18-6-8-22-9-7-18/h12H,2-11H2,1H3
InChIKeyNIQKXYXRSUWXAQ-UHFFFAOYSA-N
MW308.39 g/mol
LogP-0.24
Rot. Bonds4

About 1-(4-methylpiperidin-1-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone

1-(4-methylpiperidin-1-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone (PubChem CID 24790701) has the molecular formula C14H24N6O2 and a molecular weight of 308.39 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone
PubChem CID24790701
Molecular FormulaC14H24N6O2
Molecular Weight308.39 g/mol
Exact Mass308.20
IUPAC Name1-(4-methylpiperidin-1-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone
SMILESCC1CCN(C(=O)Cn2nnnc2CN2CCOCC2)CC1
InChIInChI=1S/C14H24N6O2/c1-12-2-4-19(5-3-12)14(21)11-20-13(15-16-17-20)10-18-6-8-22-9-7-18/h12H,2-11H2,1H3
InChIKeyNIQKXYXRSUWXAQ-UHFFFAOYSA-N
XLogP-0.24
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone (CID 24790701) is 1-(4-methylpiperidin-1-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone is CC1CCN(C(=O)Cn2nnnc2CN2CCOCC2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone?
The InChIKey is NIQKXYXRSUWXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O2/c1-12-2-4-19(5-3-12)14(21)11-20-13(15-16-17-20)10-18-6-8-22-9-7-18/h12H,2-11H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone?
1-(4-methylpiperidin-1-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone has a molecular weight of 308.39 g/mol, XLogP of -0.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone is sourced from PubChem (CID 24790701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).