2-(2-methyltetrazol-5-yl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone

C13H22N6O — CID 107061880

IUPAC2-(2-methyltetrazol-5-yl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone
SMILESCn1nnc(CC(=O)C2CCCN2C2CCNCC2)n1
InChIInChI=1S/C13H22N6O/c1-18-16-13(15-17-18)9-12(20)11-3-2-8-19(11)10-4-6-14-7-5-10/h10-11,14H,2-9H2,1H3
InChIKeyGDZKBLDUDCPNEG-UHFFFAOYSA-N
MW278.36 g/mol
LogP-0.46
Rot. Bonds4

About 2-(2-methyltetrazol-5-yl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone

2-(2-methyltetrazol-5-yl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone (PubChem CID 107061880) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(2-methyltetrazol-5-yl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-methyltetrazol-5-yl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone
PubChem CID107061880
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name2-(2-methyltetrazol-5-yl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone
SMILESCn1nnc(CC(=O)C2CCCN2C2CCNCC2)n1
InChIInChI=1S/C13H22N6O/c1-18-16-13(15-17-18)9-12(20)11-3-2-8-19(11)10-4-6-14-7-5-10/h10-11,14H,2-9H2,1H3
InChIKeyGDZKBLDUDCPNEG-UHFFFAOYSA-N
XLogP-0.46
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyltetrazol-5-yl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone?
The IUPAC name of 2-(2-methyltetrazol-5-yl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone (CID 107061880) is 2-(2-methyltetrazol-5-yl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone.
What is the SMILES notation for 2-(2-methyltetrazol-5-yl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone?
The canonical SMILES for 2-(2-methyltetrazol-5-yl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone is Cn1nnc(CC(=O)C2CCCN2C2CCNCC2)n1.
What is the InChIKey of 2-(2-methyltetrazol-5-yl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone?
The InChIKey is GDZKBLDUDCPNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-18-16-13(15-17-18)9-12(20)11-3-2-8-19(11)10-4-6-14-7-5-10/h10-11,14H,2-9H2,1H3.
What are the key properties of 2-(2-methyltetrazol-5-yl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone?
2-(2-methyltetrazol-5-yl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone has a molecular weight of 278.36 g/mol, XLogP of -0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyltetrazol-5-yl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone is sourced from PubChem (CID 107061880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).