[3-(1-methyltetrazol-5-yl)piperidin-1-yl]-phenylmethanone

C14H17N5O — CID 110196497

IUPAC[3-(1-methyltetrazol-5-yl)piperidin-1-yl]-phenylmethanone
SMILESCn1nnnc1C1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C14H17N5O/c1-18-13(15-16-17-18)12-8-5-9-19(10-12)14(20)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3
InChIKeyXRIKNAKHDKUCCW-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.23
Rot. Bonds2

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

[3-(1-methyltetrazol-5-yl)piperidin-1-yl]-phenylmethanone (PubChem CID 110196497) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is [3-(1-methyltetrazol-5-yl)piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(1-methyltetrazol-5-yl)piperidin-1-yl]-phenylmethanone
PubChem CID110196497
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name[3-(1-methyltetrazol-5-yl)piperidin-1-yl]-phenylmethanone
SMILESCn1nnnc1C1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C14H17N5O/c1-18-13(15-16-17-18)12-8-5-9-19(10-12)14(20)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3
InChIKeyXRIKNAKHDKUCCW-UHFFFAOYSA-N
XLogP1.23
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(1-methyltetrazol-5-yl)piperidin-1-yl]-phenylmethanone?
The IUPAC name of [3-(1-methyltetrazol-5-yl)piperidin-1-yl]-phenylmethanone (CID 110196497) is [3-(1-methyltetrazol-5-yl)piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-(1-methyltetrazol-5-yl)piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [3-(1-methyltetrazol-5-yl)piperidin-1-yl]-phenylmethanone is Cn1nnnc1C1CCCN(C(=O)c2ccccc2)C1.
What is the InChIKey of [3-(1-methyltetrazol-5-yl)piperidin-1-yl]-phenylmethanone?
The InChIKey is XRIKNAKHDKUCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-18-13(15-16-17-18)12-8-5-9-19(10-12)14(20)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3.
What are the key properties of [3-(1-methyltetrazol-5-yl)piperidin-1-yl]-phenylmethanone?
[3-(1-methyltetrazol-5-yl)piperidin-1-yl]-phenylmethanone has a molecular weight of 271.32 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methyltetrazol-5-yl)piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 110196497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).