1-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone

C19H19N5O2 — CID 45184024

IUPAC1-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESO=C(c1ccc2ccccc2c1)C1CCCN(C(=O)Cn2cnnn2)C1
InChIInChI=1S/C19H19N5O2/c25-18(12-24-13-20-21-22-24)23-9-3-6-17(11-23)19(26)16-8-7-14-4-1-2-5-15(14)10-16/h1-2,4-5,7-8,10,13,17H,3,6,9,11-12H2
InChIKeyJIAQYCNBWGMFDE-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.95
Rot. Bonds4

About 1-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone

1-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone (PubChem CID 45184024) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
PubChem CID45184024
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name1-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESO=C(c1ccc2ccccc2c1)C1CCCN(C(=O)Cn2cnnn2)C1
InChIInChI=1S/C19H19N5O2/c25-18(12-24-13-20-21-22-24)23-9-3-6-17(11-23)19(26)16-8-7-14-4-1-2-5-15(14)10-16/h1-2,4-5,7-8,10,13,17H,3,6,9,11-12H2
InChIKeyJIAQYCNBWGMFDE-UHFFFAOYSA-N
XLogP1.95
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone (CID 45184024) is 1-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone is O=C(c1ccc2ccccc2c1)C1CCCN(C(=O)Cn2cnnn2)C1.
What is the InChIKey of 1-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The InChIKey is JIAQYCNBWGMFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-18(12-24-13-20-21-22-24)23-9-3-6-17(11-23)19(26)16-8-7-14-4-1-2-5-15(14)10-16/h1-2,4-5,7-8,10,13,17H,3,6,9,11-12H2.
What are the key properties of 1-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone?
1-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone has a molecular weight of 349.39 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 45184024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).