1-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]ethanone

C10H17N5O — CID 107043017

IUPAC1-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1Cc1nnn(C)n1
InChIInChI=1S/C10H17N5O/c1-8(16)9-5-3-4-6-15(9)7-10-11-13-14(2)12-10/h9H,3-7H2,1-2H3
InChIKeyDRCJKNZRPYOOFJ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.15
Rot. Bonds3

About 1-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]ethanone

1-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]ethanone (PubChem CID 107043017) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]ethanone
PubChem CID107043017
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name1-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1Cc1nnn(C)n1
InChIInChI=1S/C10H17N5O/c1-8(16)9-5-3-4-6-15(9)7-10-11-13-14(2)12-10/h9H,3-7H2,1-2H3
InChIKeyDRCJKNZRPYOOFJ-UHFFFAOYSA-N
XLogP0.15
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]ethanone?
The IUPAC name of 1-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]ethanone (CID 107043017) is 1-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]ethanone.
What is the SMILES notation for 1-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]ethanone?
The canonical SMILES for 1-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]ethanone is CC(=O)C1CCCCN1Cc1nnn(C)n1.
What is the InChIKey of 1-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]ethanone?
The InChIKey is DRCJKNZRPYOOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-8(16)9-5-3-4-6-15(9)7-10-11-13-14(2)12-10/h9H,3-7H2,1-2H3.
What are the key properties of 1-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]ethanone?
1-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]ethanone has a molecular weight of 223.28 g/mol, XLogP of 0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]ethanone is sourced from PubChem (CID 107043017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).