3-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one

C19H26ClFN2O2 — CID 45229980

IUPAC3-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCC1CCCN(Cc2ccc(F)cc2Cl)C1)N1CCOCC1
InChIInChI=1S/C19H26ClFN2O2/c20-18-12-17(21)5-4-16(18)14-22-7-1-2-15(13-22)3-6-19(24)23-8-10-25-11-9-23/h4-5,12,15H,1-3,6-11,13-14H2
InChIKeyRQIKFXHEHZKFAY-UHFFFAOYSA-N
MW368.88 g/mol
LogP3.33
Rot. Bonds5

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

3-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 45229980) has the molecular formula C19H26ClFN2O2 and a molecular weight of 368.88 g/mol. Its IUPAC name is 3-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID45229980
Molecular FormulaC19H26ClFN2O2
Molecular Weight368.88 g/mol
Exact Mass368.17
IUPAC Name3-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCC1CCCN(Cc2ccc(F)cc2Cl)C1)N1CCOCC1
InChIInChI=1S/C19H26ClFN2O2/c20-18-12-17(21)5-4-16(18)14-22-7-1-2-15(13-22)3-6-19(24)23-8-10-25-11-9-23/h4-5,12,15H,1-3,6-11,13-14H2
InChIKeyRQIKFXHEHZKFAY-UHFFFAOYSA-N
XLogP3.33
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.88
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-Chlorobenzoyl)-morpholine
CID 225451
2-(2-Chlorophenyl)-1-morpholin-4-ylethanone
CID 1245975
(E)-3-(2-chlorophenyl)-1-morpholin-4-yl-2-phenylprop-2-en-1-one
CID 2286301
1-(2-Chloro-4-fluorobenzyl)-4-(3-phenylpropanoyl)piperazine
CID 2970236
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
3-[(3S,4R)-1-[(3-chlorophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 45488439
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
4-Chlorophenyl 2-(2-morpholin-4-ylethyl)piperidyl ketone
CID 16013999
N-(3-chlorobenzyl)-1-[3-(4-morpholinyl)propyl]-6-oxo-3-piperidinecarboxamide
CID 24790428

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one (CID 45229980) is 3-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one is O=C(CCC1CCCN(Cc2ccc(F)cc2Cl)C1)N1CCOCC1.
What is the InChIKey of 3-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is RQIKFXHEHZKFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClFN2O2/c20-18-12-17(21)5-4-16(18)14-22-7-1-2-15(13-22)3-6-19(24)23-8-10-25-11-9-23/h4-5,12,15H,1-3,6-11,13-14H2.
What are the key properties of 3-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one?
3-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 368.88 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 45229980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).