(3-methylphenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone

C14H17N5O — CID 110196480

IUPAC(3-methylphenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCCC(c3nn[nH]n3)C2)c1
InChIInChI=1S/C14H17N5O/c1-10-4-2-5-11(8-10)14(20)19-7-3-6-12(9-19)13-15-17-18-16-13/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,15,16,17,18)
InChIKeyWZCPBFPWENCTJJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.53
Rot. Bonds2

About (3-methylphenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone

(3-methylphenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 110196480) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is (3-methylphenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylphenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
PubChem CID110196480
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name(3-methylphenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCCC(c3nn[nH]n3)C2)c1
InChIInChI=1S/C14H17N5O/c1-10-4-2-5-11(8-10)14(20)19-7-3-6-12(9-19)13-15-17-18-16-13/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,15,16,17,18)
InChIKeyWZCPBFPWENCTJJ-UHFFFAOYSA-N
XLogP1.53
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-methylphenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone (CID 110196480) is (3-methylphenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-methylphenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-methylphenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone is Cc1cccc(C(=O)N2CCCC(c3nn[nH]n3)C2)c1.
What is the InChIKey of (3-methylphenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is WZCPBFPWENCTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-10-4-2-5-11(8-10)14(20)19-7-3-6-12(9-19)13-15-17-18-16-13/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,15,16,17,18).
What are the key properties of (3-methylphenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
(3-methylphenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 271.32 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110196480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).