1-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone

C20H20N4O2 — CID 45238939

IUPAC1-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(c1ccc2ccccc2c1)C1CCCN(C(=O)Cn2cncn2)C1
InChIInChI=1S/C20H20N4O2/c25-19(12-24-14-21-13-22-24)23-9-3-6-18(11-23)20(26)17-8-7-15-4-1-2-5-16(15)10-17/h1-2,4-5,7-8,10,13-14,18H,3,6,9,11-12H2
InChIKeyYPHBVTCOTFXBDN-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.55
Rot. Bonds4

About 1-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone

1-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 45238939) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
PubChem CID45238939
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(c1ccc2ccccc2c1)C1CCCN(C(=O)Cn2cncn2)C1
InChIInChI=1S/C20H20N4O2/c25-19(12-24-14-21-13-22-24)23-9-3-6-18(11-23)20(26)17-8-7-15-4-1-2-5-16(15)10-17/h1-2,4-5,7-8,10,13-14,18H,3,6,9,11-12H2
InChIKeyYPHBVTCOTFXBDN-UHFFFAOYSA-N
XLogP2.55
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone (CID 45238939) is 1-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone is O=C(c1ccc2ccccc2c1)C1CCCN(C(=O)Cn2cncn2)C1.
What is the InChIKey of 1-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is YPHBVTCOTFXBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-19(12-24-14-21-13-22-24)23-9-3-6-18(11-23)20(26)17-8-7-15-4-1-2-5-16(15)10-17/h1-2,4-5,7-8,10,13-14,18H,3,6,9,11-12H2.
What are the key properties of 1-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
1-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 348.41 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 45238939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).