2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-1-morpholin-4-ylethanone

C20H30N2O2 — CID 56897703

IUPAC2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-1-morpholin-4-ylethanone
SMILESCc1ccccc1CCC1CCCN(CC(=O)N2CCOCC2)C1
InChIInChI=1S/C20H30N2O2/c1-17-5-2-3-7-19(17)9-8-18-6-4-10-21(15-18)16-20(23)22-11-13-24-14-12-22/h2-3,5,7,18H,4,6,8-16H2,1H3
InChIKeyFROMSWLUQQUCBU-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.50
Rot. Bonds5

About 2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-1-morpholin-4-ylethanone

2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 56897703) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-1-morpholin-4-ylethanone
PubChem CID56897703
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-1-morpholin-4-ylethanone
SMILESCc1ccccc1CCC1CCCN(CC(=O)N2CCOCC2)C1
InChIInChI=1S/C20H30N2O2/c1-17-5-2-3-7-19(17)9-8-18-6-4-10-21(15-18)16-20(23)22-11-13-24-14-12-22/h2-3,5,7,18H,4,6,8-16H2,1H3
InChIKeyFROMSWLUQQUCBU-UHFFFAOYSA-N
XLogP2.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-1-morpholin-4-ylethanone (CID 56897703) is 2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-1-morpholin-4-ylethanone is Cc1ccccc1CCC1CCCN(CC(=O)N2CCOCC2)C1.
What is the InChIKey of 2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is FROMSWLUQQUCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-17-5-2-3-7-19(17)9-8-18-6-4-10-21(15-18)16-20(23)22-11-13-24-14-12-22/h2-3,5,7,18H,4,6,8-16H2,1H3.
What are the key properties of 2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-1-morpholin-4-ylethanone?
2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 330.47 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 56897703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).