1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-morpholin-2-ylethanone

C17H23ClN2O3 — CID 70786895

IUPAC1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-morpholin-2-ylethanone
SMILESO=C(CC1CNCCO1)N1CCC(Oc2ccccc2Cl)CC1
InChIInChI=1S/C17H23ClN2O3/c18-15-3-1-2-4-16(15)23-13-5-8-20(9-6-13)17(21)11-14-12-19-7-10-22-14/h1-4,13-14,19H,5-12H2
InChIKeyMTWGKTNFOOHGFC-UHFFFAOYSA-N
MW338.84 g/mol
LogP2.09
Rot. Bonds4

About 1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-morpholin-2-ylethanone

1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-morpholin-2-ylethanone (PubChem CID 70786895) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is 1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-morpholin-2-ylethanone.

Molecular Properties

Compound Name1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-morpholin-2-ylethanone
PubChem CID70786895
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC Name1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-morpholin-2-ylethanone
SMILESO=C(CC1CNCCO1)N1CCC(Oc2ccccc2Cl)CC1
InChIInChI=1S/C17H23ClN2O3/c18-15-3-1-2-4-16(15)23-13-5-8-20(9-6-13)17(21)11-14-12-19-7-10-22-14/h1-4,13-14,19H,5-12H2
InChIKeyMTWGKTNFOOHGFC-UHFFFAOYSA-N
XLogP2.09
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-morpholin-2-ylethanone with MolForge

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Related Compounds

2-morpholin-2-yl-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 70714144
1-(azepan-1-yl)-2-morpholin-2-ylethanone
CID 66433560
methyl 1-(2-morpholin-2-ylacetyl)piperidine-4-carboxylate
CID 66433180
[4-(2-chlorophenoxy)piperidin-1-yl]-(oxiran-2-yl)methanone
CID 154879916
1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[(2S)-morpholin-2-yl]ethanone
CID 97143351
1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-2-morpholin-2-ylethanone
CID 70726575
1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-morpholin-2-ylethanone
CID 122148242
1-[2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120549413
(2R)-2-[(2-chlorophenoxy)methyl]morpholine
CID 42048764
N-methyl-1-(2-morpholin-2-ylacetyl)piperidine-4-carboxamide
CID 66433581
1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone
CID 70715112
1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-morpholin-2-ylethanone
CID 70711639

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-morpholin-2-ylethanone?
The IUPAC name of 1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-morpholin-2-ylethanone (CID 70786895) is 1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-morpholin-2-ylethanone.
What is the SMILES notation for 1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-morpholin-2-ylethanone?
The canonical SMILES for 1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-morpholin-2-ylethanone is O=C(CC1CNCCO1)N1CCC(Oc2ccccc2Cl)CC1.
What is the InChIKey of 1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-morpholin-2-ylethanone?
The InChIKey is MTWGKTNFOOHGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c18-15-3-1-2-4-16(15)23-13-5-8-20(9-6-13)17(21)11-14-12-19-7-10-22-14/h1-4,13-14,19H,5-12H2.
What are the key properties of 1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-morpholin-2-ylethanone?
1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-morpholin-2-ylethanone has a molecular weight of 338.84 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-morpholin-2-ylethanone is sourced from PubChem (CID 70786895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).