1-[2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone

C19H30N4O2 — CID 50951038

IUPAC1-[2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1C1=CCCN(Cc2noc(CC(C)C)n2)C1
InChIInChI=1S/C19H30N4O2/c1-14(2)11-19-20-18(21-25-19)13-22-9-6-7-16(12-22)17-8-4-5-10-23(17)15(3)24/h7,14,17H,4-6,8-13H2,1-3H3
InChIKeyDMMMLJUIDDLJLS-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.80
Rot. Bonds5

About 1-[2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone

1-[2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone (PubChem CID 50951038) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-[2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone
PubChem CID50951038
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-[2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1C1=CCCN(Cc2noc(CC(C)C)n2)C1
InChIInChI=1S/C19H30N4O2/c1-14(2)11-19-20-18(21-25-19)13-22-9-6-7-16(12-22)17-8-4-5-10-23(17)15(3)24/h7,14,17H,4-6,8-13H2,1-3H3
InChIKeyDMMMLJUIDDLJLS-UHFFFAOYSA-N
XLogP2.80
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone (CID 50951038) is 1-[2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone is CC(=O)N1CCCCC1C1=CCCN(Cc2noc(CC(C)C)n2)C1.
What is the InChIKey of 1-[2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone?
The InChIKey is DMMMLJUIDDLJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-14(2)11-19-20-18(21-25-19)13-22-9-6-7-16(12-22)17-8-4-5-10-23(17)15(3)24/h7,14,17H,4-6,8-13H2,1-3H3.
What are the key properties of 1-[2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone?
1-[2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone has a molecular weight of 346.48 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 50951038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).