cyclopropyl-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone

C11H17N5O — CID 110196508

IUPACcyclopropyl-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone
SMILESCn1nnnc1C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C11H17N5O/c1-15-10(12-13-14-15)9-3-2-6-16(7-9)11(17)8-4-5-8/h8-9H,2-7H2,1H3
InChIKeyBDGDAPCBBXCXNL-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.33
Rot. Bonds2

About cyclopropyl-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone

cyclopropyl-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 110196508) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is cyclopropyl-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone
PubChem CID110196508
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Namecyclopropyl-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone
SMILESCn1nnnc1C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C11H17N5O/c1-15-10(12-13-14-15)9-3-2-6-16(7-9)11(17)8-4-5-8/h8-9H,2-7H2,1H3
InChIKeyBDGDAPCBBXCXNL-UHFFFAOYSA-N
XLogP0.33
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone (CID 110196508) is cyclopropyl-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone is Cn1nnnc1C1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of cyclopropyl-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is BDGDAPCBBXCXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-15-10(12-13-14-15)9-3-2-6-16(7-9)11(17)8-4-5-8/h8-9H,2-7H2,1H3.
What are the key properties of cyclopropyl-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone?
cyclopropyl-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 235.29 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110196508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).