1-[4-(2-methylphenoxy)piperidin-1-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone

C21H32N2O3 — CID 70772622

IUPAC1-[4-(2-methylphenoxy)piperidin-1-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone
SMILESCc1ccccc1OC1CCN(C(=O)CC2CN(C(C)C)CCO2)CC1
InChIInChI=1S/C21H32N2O3/c1-16(2)23-12-13-25-19(15-23)14-21(24)22-10-8-18(9-11-22)26-20-7-5-4-6-17(20)3/h4-7,16,18-19H,8-15H2,1-3H3
InChIKeyDQQAINSDNZREPL-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.86
Rot. Bonds5

About 1-[4-(2-methylphenoxy)piperidin-1-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone

1-[4-(2-methylphenoxy)piperidin-1-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone (PubChem CID 70772622) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-[4-(2-methylphenoxy)piperidin-1-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone.

Molecular Properties

Compound Name1-[4-(2-methylphenoxy)piperidin-1-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone
PubChem CID70772622
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name1-[4-(2-methylphenoxy)piperidin-1-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone
SMILESCc1ccccc1OC1CCN(C(=O)CC2CN(C(C)C)CCO2)CC1
InChIInChI=1S/C21H32N2O3/c1-16(2)23-12-13-25-19(15-23)14-21(24)22-10-8-18(9-11-22)26-20-7-5-4-6-17(20)3/h4-7,16,18-19H,8-15H2,1-3H3
InChIKeyDQQAINSDNZREPL-UHFFFAOYSA-N
XLogP2.86
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-methylphenoxy)piperidin-1-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone with MolForge

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Related Compounds

2-(4-propan-2-ylmorpholin-2-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 118781326
1-[3-(3-ethylphenoxy)azetidin-1-yl]-2-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone
CID 97112522
1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 70718975
1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-morpholin-2-ylethanone
CID 70786895
1-(4-methylphenyl)-4-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]piperazin-2-one
CID 70744765
2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 103432287
2-(4-methyl-1,4-diazepan-1-yl)-1-[4-(2-methylphenoxy)piperidin-1-yl]ethanone
CID 90650172
1-[4-(2-methylphenoxy)piperidine-1-carbonyl]cyclopropane-1-carboxamide
CID 70744445
3-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzaldehyde
CID 115955541
2-hydroxy-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70754980
4-propan-2-yl-2-[(2-propan-2-ylphenoxy)methyl]morpholine
CID 64763487
3-amino-1-[4-(2-iodophenoxy)piperidin-1-yl]butan-1-one
CID 119814869

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylphenoxy)piperidin-1-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone?
The IUPAC name of 1-[4-(2-methylphenoxy)piperidin-1-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone (CID 70772622) is 1-[4-(2-methylphenoxy)piperidin-1-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone.
What is the SMILES notation for 1-[4-(2-methylphenoxy)piperidin-1-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone?
The canonical SMILES for 1-[4-(2-methylphenoxy)piperidin-1-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone is Cc1ccccc1OC1CCN(C(=O)CC2CN(C(C)C)CCO2)CC1.
What is the InChIKey of 1-[4-(2-methylphenoxy)piperidin-1-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone?
The InChIKey is DQQAINSDNZREPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-16(2)23-12-13-25-19(15-23)14-21(24)22-10-8-18(9-11-22)26-20-7-5-4-6-17(20)3/h4-7,16,18-19H,8-15H2,1-3H3.
What are the key properties of 1-[4-(2-methylphenoxy)piperidin-1-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone?
1-[4-(2-methylphenoxy)piperidin-1-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone has a molecular weight of 360.50 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylphenoxy)piperidin-1-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone is sourced from PubChem (CID 70772622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).