4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-4-(methoxymethyl)piperidin-2-one

C21H30ClFN2O2 — CID 153338480

IUPAC4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-4-(methoxymethyl)piperidin-2-one
SMILESCOCC1(NCCC2CCC(c3ccc(F)cc3Cl)CC2)CCNC(=O)C1
InChIInChI=1S/C21H30ClFN2O2/c1-27-14-21(9-11-24-20(26)13-21)25-10-8-15-2-4-16(5-3-15)18-7-6-17(23)12-19(18)22/h6-7,12,15-16,25H,2-5,8-11,13-14H2,1H3,(H,24,26)
InChIKeyVOQUUMAHGONGRO-UHFFFAOYSA-N
MW396.93 g/mol
LogP4.03
Rot. Bonds7

About 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-4-(methoxymethyl)piperidin-2-one

4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-4-(methoxymethyl)piperidin-2-one (PubChem CID 153338480) has the molecular formula C21H30ClFN2O2 and a molecular weight of 396.93 g/mol. Its IUPAC name is 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-4-(methoxymethyl)piperidin-2-one.

Molecular Properties

Compound Name4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-4-(methoxymethyl)piperidin-2-one
PubChem CID153338480
Molecular FormulaC21H30ClFN2O2
Molecular Weight396.93 g/mol
Exact Mass396.20
IUPAC Name4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-4-(methoxymethyl)piperidin-2-one
SMILESCOCC1(NCCC2CCC(c3ccc(F)cc3Cl)CC2)CCNC(=O)C1
InChIInChI=1S/C21H30ClFN2O2/c1-27-14-21(9-11-24-20(26)13-21)25-10-8-15-2-4-16(5-3-15)18-7-6-17(23)12-19(18)22/h6-7,12,15-16,25H,2-5,8-11,13-14H2,1H3,(H,24,26)
InChIKeyVOQUUMAHGONGRO-UHFFFAOYSA-N
XLogP4.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.93
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-4-(methoxymethyl)piperidin-2-one with MolForge

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Related Compounds

(4R)-4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]piperidin-2-one
CID 153338603
4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide
CID 153338612
4-[2-[4-(2-Chloro-4-fluorophenyl)cyclohexyl]ethylamino]piperidin-2-one
CID 155757723
(4S)-4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]piperidin-2-one
CID 147441059
4-[2-[4-(2-Chloro-3-fluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
CID 153338454
3-[2-[4-(2-Chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxane-3-carboxamide
CID 153338482
4-[2-[4-(2-Chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
CID 153338534
4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-N-ethyloxane-4-carboxamide
CID 153338572
4-[2-[4-(2-Chloro-4-fluorophenyl)cyclohexyl]ethylamino]-4-methylpiperidin-2-one
CID 153338608
4-[2-[4-(2-Chloro-5-fluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
CID 155757714
4-[2-[4-(2-Chloro-4-fluorophenyl)cyclohexyl]ethylamino]-1-methylpiperidin-2-one
CID 155757716
1-[4-[2-[4-(2-Chloro-4-fluorophenyl)cyclohexyl]ethylamino]piperidin-1-yl]ethanone
CID 155757724

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-4-(methoxymethyl)piperidin-2-one?
The IUPAC name of 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-4-(methoxymethyl)piperidin-2-one (CID 153338480) is 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-4-(methoxymethyl)piperidin-2-one.
What is the SMILES notation for 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-4-(methoxymethyl)piperidin-2-one?
The canonical SMILES for 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-4-(methoxymethyl)piperidin-2-one is COCC1(NCCC2CCC(c3ccc(F)cc3Cl)CC2)CCNC(=O)C1.
What is the InChIKey of 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-4-(methoxymethyl)piperidin-2-one?
The InChIKey is VOQUUMAHGONGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClFN2O2/c1-27-14-21(9-11-24-20(26)13-21)25-10-8-15-2-4-16(5-3-15)18-7-6-17(23)12-19(18)22/h6-7,12,15-16,25H,2-5,8-11,13-14H2,1H3,(H,24,26).
What are the key properties of 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-4-(methoxymethyl)piperidin-2-one?
4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-4-(methoxymethyl)piperidin-2-one has a molecular weight of 396.93 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-4-(methoxymethyl)piperidin-2-one is sourced from PubChem (CID 153338480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).