2-[(2-methyltetrazol-5-yl)methyl]piperidine-3-carboxamide

C9H16N6O — CID 107054758

IUPAC2-[(2-methyltetrazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCn1nnc(CC2NCCCC2C(N)=O)n1
InChIInChI=1S/C9H16N6O/c1-15-13-8(12-14-15)5-7-6(9(10)16)3-2-4-11-7/h6-7,11H,2-5H2,1H3,(H2,10,16)
InChIKeyWERRBVHHJXSQSX-UHFFFAOYSA-N
MW224.27 g/mol
LogP-1.39
Rot. Bonds3

About 2-[(2-methyltetrazol-5-yl)methyl]piperidine-3-carboxamide

2-[(2-methyltetrazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 107054758) has the molecular formula C9H16N6O and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-[(2-methyltetrazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name2-[(2-methyltetrazol-5-yl)methyl]piperidine-3-carboxamide
PubChem CID107054758
Molecular FormulaC9H16N6O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name2-[(2-methyltetrazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCn1nnc(CC2NCCCC2C(N)=O)n1
InChIInChI=1S/C9H16N6O/c1-15-13-8(12-14-15)5-7-6(9(10)16)3-2-4-11-7/h6-7,11H,2-5H2,1H3,(H2,10,16)
InChIKeyWERRBVHHJXSQSX-UHFFFAOYSA-N
XLogP-1.39
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyltetrazol-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 2-[(2-methyltetrazol-5-yl)methyl]piperidine-3-carboxamide (CID 107054758) is 2-[(2-methyltetrazol-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 2-[(2-methyltetrazol-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 2-[(2-methyltetrazol-5-yl)methyl]piperidine-3-carboxamide is Cn1nnc(CC2NCCCC2C(N)=O)n1.
What is the InChIKey of 2-[(2-methyltetrazol-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is WERRBVHHJXSQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O/c1-15-13-8(12-14-15)5-7-6(9(10)16)3-2-4-11-7/h6-7,11H,2-5H2,1H3,(H2,10,16).
What are the key properties of 2-[(2-methyltetrazol-5-yl)methyl]piperidine-3-carboxamide?
2-[(2-methyltetrazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 224.27 g/mol, XLogP of -1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyltetrazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 107054758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).