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

C20H28ClFN2O — CID 153338608

IUPAC4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-4-methylpiperidin-2-one
SMILESCC1(NCCC2CCC(c3ccc(F)cc3Cl)CC2)CCNC(=O)C1
InChIInChI=1S/C20H28ClFN2O/c1-20(9-11-23-19(25)13-20)24-10-8-14-2-4-15(5-3-14)17-7-6-16(22)12-18(17)21/h6-7,12,14-15,24H,2-5,8-11,13H2,1H3,(H,23,25)
InChIKeyWFRWZIQGTWZUNB-UHFFFAOYSA-N
MW366.91 g/mol
LogP4.40
Rot. Bonds5

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

4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-4-methylpiperidin-2-one (PubChem CID 153338608) has the molecular formula C20H28ClFN2O and a molecular weight of 366.91 g/mol. Its IUPAC name is 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-4-methylpiperidin-2-one.

Molecular Properties

Compound Name4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-4-methylpiperidin-2-one
PubChem CID153338608
Molecular FormulaC20H28ClFN2O
Molecular Weight366.91 g/mol
Exact Mass366.19
IUPAC Name4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-4-methylpiperidin-2-one
SMILESCC1(NCCC2CCC(c3ccc(F)cc3Cl)CC2)CCNC(=O)C1
InChIInChI=1S/C20H28ClFN2O/c1-20(9-11-23-19(25)13-20)24-10-8-14-2-4-15(5-3-14)17-7-6-16(22)12-18(17)21/h6-7,12,14-15,24H,2-5,8-11,13H2,1H3,(H,23,25)
InChIKeyWFRWZIQGTWZUNB-UHFFFAOYSA-N
XLogP4.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.91
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5R)-5-amino-4-(2-chlorophenyl)-1-(cyclohexylmethyl)piperidin-2-one
CID 16204462
2,2-Bis-(2-chloro-phenyl)-N-[3-(2,6-dimethyl-piperidin-1-yl)-propyl]-acetamide
CID 10048481
1-[2-(4-chlorophenyl)ethyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]-6-oxopiperidine-3-carboxamide
CID 24791565
(4R)-4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]piperidin-2-one
CID 153338603
4-[2-[4-(2-Chloro-4-fluorophenyl)cyclohexyl]ethylamino]piperidin-2-one
CID 155757723
N-[2-(2-chlorophenyl)ethyl]-1-cycloheptyl-6-oxo-3-piperidinecarboxamide
CID 24790714
1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(3-phenylpropyl)-3-piperidinecarboxamide
CID 24791495
N-[2-(2-chlorophenyl)ethyl]-1-(cyclohexylmethyl)-6-oxo-3-piperidinecarboxamide
CID 24817314
4-(4-Chloro-phenyl)-1-methyl-piperidine-3-carboxylic acid methylamide
CID 44288812
(3S,4R)-4-(4-chlorophenyl)-N,1-dimethylpiperidine-3-carboxamide
CID 44288895
N-[(2-chlorophenyl)methyl]-1-[[3-(2,4-difluorophenyl)phenyl]methyl]piperidine-3-carboxamide
CID 134800825
3-[2-[4-(2-Chloro-4-fluorophenyl)cyclohexyl]ethylamino]pyrrolidin-2-one
CID 146767122

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-4-methylpiperidin-2-one?
The IUPAC name of 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-4-methylpiperidin-2-one (CID 153338608) is 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-4-methylpiperidin-2-one.
What is the SMILES notation for 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-4-methylpiperidin-2-one?
The canonical SMILES for 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-4-methylpiperidin-2-one is CC1(NCCC2CCC(c3ccc(F)cc3Cl)CC2)CCNC(=O)C1.
What is the InChIKey of 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-4-methylpiperidin-2-one?
The InChIKey is WFRWZIQGTWZUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClFN2O/c1-20(9-11-23-19(25)13-20)24-10-8-14-2-4-15(5-3-14)17-7-6-16(22)12-18(17)21/h6-7,12,14-15,24H,2-5,8-11,13H2,1H3,(H,23,25).
What are the key properties of 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-4-methylpiperidin-2-one?
4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-4-methylpiperidin-2-one has a molecular weight of 366.91 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-4-methylpiperidin-2-one is sourced from PubChem (CID 153338608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).