[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone

C17H22ClFN2O2 — CID 43918725

IUPAC[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCCN(Cc2c(F)cccc2Cl)C1)N1CCOCC1
InChIInChI=1S/C17H22ClFN2O2/c18-15-4-1-5-16(19)14(15)12-20-6-2-3-13(11-20)17(22)21-7-9-23-10-8-21/h1,4-5,13H,2-3,6-12H2
InChIKeyVDEIONFELAVKKU-UHFFFAOYSA-N
MW340.83 g/mol
LogP2.55
Rot. Bonds3

About [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone

[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 43918725) has the molecular formula C17H22ClFN2O2 and a molecular weight of 340.83 g/mol. Its IUPAC name is [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID43918725
Molecular FormulaC17H22ClFN2O2
Molecular Weight340.83 g/mol
Exact Mass340.14
IUPAC Name[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCCN(Cc2c(F)cccc2Cl)C1)N1CCOCC1
InChIInChI=1S/C17H22ClFN2O2/c18-15-4-1-5-16(19)14(15)12-20-6-2-3-13(11-20)17(22)21-7-9-23-10-8-21/h1,4-5,13H,2-3,6-12H2
InChIKeyVDEIONFELAVKKU-UHFFFAOYSA-N
XLogP2.55
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N~4~-(2-Chlorobenzyl)-1-(morpholinosulfonyl)-4-piperidinecarboxamide
CID 4064508
N-(2-chlorobenzyl)-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-3-piperidinecarboxamide
CID 24794213
1-(4-Chlorobenzyl)-5-[(4-methyl-1-piperidinyl)carbonyl]-2-piperidinone
CID 24817781
2-(2-Chloro-6-fluorophenyl)-1-morpholin-4-ylethanone
CID 974102
1-(4-Chlorobenzyl)-5-(4-morpholinylcarbonyl)-2-piperidinone
CID 24790326
US11077113, Example 8
CID 162533418
1-(4-Chlorobenzyl)-5-(1,2-oxazinan-2-ylcarbonyl)-2-piperidinone
CID 24790131
N-(3-chlorobenzyl)-1-[3-(4-morpholinyl)propyl]-6-oxo-3-piperidinecarboxamide
CID 24790428
N-(3-fluorobenzyl)-1-[3-(4-morpholinyl)propyl]-6-oxo-3-piperidinecarboxamide
CID 24791214
1-[2-(4-Chlorophenyl)ethyl]-5-{[4-(2-methoxyethyl)-1-piperazinyl]carbonyl}-2-piperidinone
CID 24792085
5-[(5-chloro-3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]-1-[3-(4-morpholinyl)propyl]-2-piperidinone
CID 24791455
1-(4-Chlorobenzyl)-5-{[4-(methoxymethyl)-1-piperidinyl]carbonyl}-2-piperidinone
CID 24818994

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone (CID 43918725) is [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone is O=C(C1CCCN(Cc2c(F)cccc2Cl)C1)N1CCOCC1.
What is the InChIKey of [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is VDEIONFELAVKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClFN2O2/c18-15-4-1-5-16(19)14(15)12-20-6-2-3-13(11-20)17(22)21-7-9-23-10-8-21/h1,4-5,13H,2-3,6-12H2.
What are the key properties of [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 340.83 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 43918725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).