1-(4-methylpiperidin-1-yl)-2-(5-methyltetrazol-1-yl)ethanone

C10H17N5O — CID 141278143

IUPAC1-(4-methylpiperidin-1-yl)-2-(5-methyltetrazol-1-yl)ethanone
SMILESCc1nnnn1CC(=O)N1CCC(C)CC1
InChIInChI=1S/C10H17N5O/c1-8-3-5-14(6-4-8)10(16)7-15-9(2)11-12-13-15/h8H,3-7H2,1-2H3
InChIKeySRQSHAJPXPMTPH-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.24
Rot. Bonds2

About 1-(4-methylpiperidin-1-yl)-2-(5-methyltetrazol-1-yl)ethanone

1-(4-methylpiperidin-1-yl)-2-(5-methyltetrazol-1-yl)ethanone (PubChem CID 141278143) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-(5-methyltetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-(5-methyltetrazol-1-yl)ethanone
PubChem CID141278143
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name1-(4-methylpiperidin-1-yl)-2-(5-methyltetrazol-1-yl)ethanone
SMILESCc1nnnn1CC(=O)N1CCC(C)CC1
InChIInChI=1S/C10H17N5O/c1-8-3-5-14(6-4-8)10(16)7-15-9(2)11-12-13-15/h8H,3-7H2,1-2H3
InChIKeySRQSHAJPXPMTPH-UHFFFAOYSA-N
XLogP0.24
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-(5-methyltetrazol-1-yl)ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-(5-methyltetrazol-1-yl)ethanone (CID 141278143) is 1-(4-methylpiperidin-1-yl)-2-(5-methyltetrazol-1-yl)ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-(5-methyltetrazol-1-yl)ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-(5-methyltetrazol-1-yl)ethanone is Cc1nnnn1CC(=O)N1CCC(C)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-(5-methyltetrazol-1-yl)ethanone?
The InChIKey is SRQSHAJPXPMTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-8-3-5-14(6-4-8)10(16)7-15-9(2)11-12-13-15/h8H,3-7H2,1-2H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-(5-methyltetrazol-1-yl)ethanone?
1-(4-methylpiperidin-1-yl)-2-(5-methyltetrazol-1-yl)ethanone has a molecular weight of 223.28 g/mol, XLogP of 0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-(5-methyltetrazol-1-yl)ethanone is sourced from PubChem (CID 141278143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).