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

C16H19N5O — CID 110196485

IUPAC(1-phenylcyclopropyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(N1CCCC(c2nn[nH]n2)C1)C1(c2ccccc2)CC1
InChIInChI=1S/C16H19N5O/c22-15(16(8-9-16)13-6-2-1-3-7-13)21-10-4-5-12(11-21)14-17-19-20-18-14/h1-3,6-7,12H,4-5,8-11H2,(H,17,18,19,20)
InChIKeyXNKWQDIDXGEJFJ-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.64
Rot. Bonds3

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

(1-phenylcyclopropyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 110196485) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is (1-phenylcyclopropyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-phenylcyclopropyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
PubChem CID110196485
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name(1-phenylcyclopropyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(N1CCCC(c2nn[nH]n2)C1)C1(c2ccccc2)CC1
InChIInChI=1S/C16H19N5O/c22-15(16(8-9-16)13-6-2-1-3-7-13)21-10-4-5-12(11-21)14-17-19-20-18-14/h1-3,6-7,12H,4-5,8-11H2,(H,17,18,19,20)
InChIKeyXNKWQDIDXGEJFJ-UHFFFAOYSA-N
XLogP1.64
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-phenylcyclopropyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-phenylcyclopropyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone (CID 110196485) is (1-phenylcyclopropyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-phenylcyclopropyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-phenylcyclopropyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone is O=C(N1CCCC(c2nn[nH]n2)C1)C1(c2ccccc2)CC1.
What is the InChIKey of (1-phenylcyclopropyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is XNKWQDIDXGEJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c22-15(16(8-9-16)13-6-2-1-3-7-13)21-10-4-5-12(11-21)14-17-19-20-18-14/h1-3,6-7,12H,4-5,8-11H2,(H,17,18,19,20).
What are the key properties of (1-phenylcyclopropyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
(1-phenylcyclopropyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 297.36 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylcyclopropyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110196485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).