(2S,3R)-3-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carbonyl]-5-methyl-2-propylhexanamide

C23H32ClF3N2O3 — CID 10195576

IUPAC(2S,3R)-3-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carbonyl]-5-methyl-2-propylhexanamide
SMILESCCC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H32ClF3N2O3/c1-4-5-16(20(28)30)17(12-14(2)3)21(31)29-10-8-22(32,9-11-29)15-6-7-19(24)18(13-15)23(25,26)27/h6-7,13-14,16-17,32H,4-5,8-12H2,1-3H3,(H2,28,30)/t16-,17+/m0/s1
InChIKeyLQFDYAJOAKPKBZ-DLBZAZTESA-N
MW476.97 g/mol
LogP4.73
Rot. Bonds8

About (2S,3R)-3-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carbonyl]-5-methyl-2-propylhexanamide

(2S,3R)-3-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carbonyl]-5-methyl-2-propylhexanamide (PubChem CID 10195576) has the molecular formula C23H32ClF3N2O3 and a molecular weight of 476.97 g/mol. Its IUPAC name is (2S,3R)-3-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carbonyl]-5-methyl-2-propylhexanamide.

Molecular Properties

Compound Name(2S,3R)-3-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carbonyl]-5-methyl-2-propylhexanamide
PubChem CID10195576
Molecular FormulaC23H32ClF3N2O3
Molecular Weight476.97 g/mol
Exact Mass476.21
IUPAC Name(2S,3R)-3-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carbonyl]-5-methyl-2-propylhexanamide
SMILESCCC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H32ClF3N2O3/c1-4-5-16(20(28)30)17(12-14(2)3)21(31)29-10-8-22(32,9-11-29)15-6-7-19(24)18(13-15)23(25,26)27/h6-7,13-14,16-17,32H,4-5,8-12H2,1-3H3,(H2,28,30)/t16-,17+/m0/s1
InChIKeyLQFDYAJOAKPKBZ-DLBZAZTESA-N
XLogP4.73
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.97
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,3R)-3-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carbonyl]-5-methyl-2-propylhexanamide with MolForge

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Related Compounds

Fluperamide
CID 131534
[4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl]-cyclohexylmethanone
CID 2809533
((3S,4R,5R)-4-(4-chlorophenyl)-4-hydroxy-3,5-dimethylpiperidin-1-yl)((3S,4R)-4-(2,4-difluorophenyl)-1-methylpyrrolidin-3-yl)methanone
CID 46885862
N-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylpentanamide
CID 57888834
1-{4-[4-Chloro-3-(Trifluoromethyl)phenyl]-4-Hydroxypiperidin-1-Yl}-3-Sulfanylpropan-1-One
CID 70789290
N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 25206951
N-[3-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-3-oxopropyl]cyclopentanecarboxamide
CID 59444197
Fluperamide hydrochloride
CID 214899
1-[4-[4-Chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]-3-[2-(dimethylamino)ethyldisulfanyl]propan-1-one
CID 90667461
1-[4-[4-Chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]-4,4-bis(4-fluorophenyl)butan-1-one
CID 53318979
1-[4-[4-Chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]ethanone
CID 142080031
Methyl 4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxylate
CID 134990265

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carbonyl]-5-methyl-2-propylhexanamide?
The IUPAC name of (2S,3R)-3-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carbonyl]-5-methyl-2-propylhexanamide (CID 10195576) is (2S,3R)-3-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carbonyl]-5-methyl-2-propylhexanamide.
What is the SMILES notation for (2S,3R)-3-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carbonyl]-5-methyl-2-propylhexanamide?
The canonical SMILES for (2S,3R)-3-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carbonyl]-5-methyl-2-propylhexanamide is CCC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1.
What is the InChIKey of (2S,3R)-3-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carbonyl]-5-methyl-2-propylhexanamide?
The InChIKey is LQFDYAJOAKPKBZ-DLBZAZTESA-N. The full InChI is InChI=1S/C23H32ClF3N2O3/c1-4-5-16(20(28)30)17(12-14(2)3)21(31)29-10-8-22(32,9-11-29)15-6-7-19(24)18(13-15)23(25,26)27/h6-7,13-14,16-17,32H,4-5,8-12H2,1-3H3,(H2,28,30)/t16-,17+/m0/s1.
What are the key properties of (2S,3R)-3-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carbonyl]-5-methyl-2-propylhexanamide?
(2S,3R)-3-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carbonyl]-5-methyl-2-propylhexanamide has a molecular weight of 476.97 g/mol, XLogP of 4.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carbonyl]-5-methyl-2-propylhexanamide is sourced from PubChem (CID 10195576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).