N-[1-(1-acetylpiperidine-4-carbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-4-chloro-N-methyl-3-(trifluoromethyl)benzamide

C28H30ClF4N3O3 — CID 68930191

IUPACN-[1-(1-acetylpiperidine-4-carbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-4-chloro-N-methyl-3-(trifluoromethyl)benzamide
SMILESCC(=O)N1CCC(C(=O)N2CCC(N(C)C(=O)c3ccc(Cl)c(C(F)(F)F)c3)C(c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C28H30ClF4N3O3/c1-17(37)35-12-9-19(10-13-35)27(39)36-14-11-25(22(16-36)18-3-6-21(30)7-4-18)34(2)26(38)20-5-8-24(29)23(15-20)28(31,32)33/h3-8,15,19,22,25H,9-14,16H2,1-2H3
InChIKeyUCJSBGCUJIJLTE-UHFFFAOYSA-N
MW568.01 g/mol
LogP5.21
Rot. Bonds4

About N-[1-(1-acetylpiperidine-4-carbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-4-chloro-N-methyl-3-(trifluoromethyl)benzamide

N-[1-(1-acetylpiperidine-4-carbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-4-chloro-N-methyl-3-(trifluoromethyl)benzamide (PubChem CID 68930191) has the molecular formula C28H30ClF4N3O3 and a molecular weight of 568.01 g/mol. Its IUPAC name is N-[1-(1-acetylpiperidine-4-carbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-4-chloro-N-methyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(1-acetylpiperidine-4-carbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-4-chloro-N-methyl-3-(trifluoromethyl)benzamide
PubChem CID68930191
Molecular FormulaC28H30ClF4N3O3
Molecular Weight568.01 g/mol
Exact Mass567.19
IUPAC NameN-[1-(1-acetylpiperidine-4-carbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-4-chloro-N-methyl-3-(trifluoromethyl)benzamide
SMILESCC(=O)N1CCC(C(=O)N2CCC(N(C)C(=O)c3ccc(Cl)c(C(F)(F)F)c3)C(c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C28H30ClF4N3O3/c1-17(37)35-12-9-19(10-13-35)27(39)36-14-11-25(22(16-36)18-3-6-21(30)7-4-18)34(2)26(38)20-5-8-24(29)23(15-20)28(31,32)33/h3-8,15,19,22,25H,9-14,16H2,1-2H3
InChIKeyUCJSBGCUJIJLTE-UHFFFAOYSA-N
XLogP5.21
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.01
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R,4R)-1-(4-acetamidocyclohexanecarbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-4-chloro-N-methyl-3-(trifluoromethyl)benzamide
CID 68935610
N-[1-(1-acetylpiperidine-4-carbonyl)-3-(4-chlorophenyl)piperidin-4-yl]-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide
CID 68931769
tert-butyl (3R,4R)-4-[[4-chloro-3-(trifluoromethyl)benzoyl]-methylamino]-3-(4-fluorophenyl)piperidine-1-carboxylate
CID 91488940
N-[1-(1-acetylpiperidine-4-carbonyl)-3-[4-(trifluoromethyl)phenyl]piperidin-4-yl]-N-methyl-4-(trifluoromethyl)benzamide
CID 87628133
4-chloro-N-[(3S,4R)-4-(4-chlorophenyl)-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-N-methyl-3-(trifluoromethyl)benzamide
CID 44545657
N-[(3S,4S)-1-(1-acetylpiperidine-4-carbonyl)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 87628712
N-[(3R,4R)-1-(1-acetylpiperidine-4-carbonyl)-3-(4-chlorophenyl)piperidin-4-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 86631371
N-[1-(1-acetylpiperidine-4-carbonyl)-3-(3,4-dichlorophenyl)piperidin-4-yl]-4-(dimethylamino)-N-methylbenzamide
CID 68932264
4-chloro-N-[(3R,4S)-4-(4-chlorophenyl)-1-[1-(cyclopropylmethyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-N-methyl-3-(trifluoromethyl)benzamide
CID 58009313
N-[(3R,4R)-1-(1-acetylpiperidine-4-carbonyl)-3-(3-chloro-4-methylphenyl)piperidin-4-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 86631318
N-[(3R,4R)-1-(1-acetylpiperidine-4-carbonyl)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-1H-pyrrole-3-carboxamide
CID 68929074
N-[1-(1-acetylpiperidine-4-carbonyl)-3-(3,4-dichlorophenyl)piperidin-4-yl]-6-chloro-N-methylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 87627321

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-acetylpiperidine-4-carbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-4-chloro-N-methyl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(1-acetylpiperidine-4-carbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-4-chloro-N-methyl-3-(trifluoromethyl)benzamide (CID 68930191) is N-[1-(1-acetylpiperidine-4-carbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-4-chloro-N-methyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(1-acetylpiperidine-4-carbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-4-chloro-N-methyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(1-acetylpiperidine-4-carbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-4-chloro-N-methyl-3-(trifluoromethyl)benzamide is CC(=O)N1CCC(C(=O)N2CCC(N(C)C(=O)c3ccc(Cl)c(C(F)(F)F)c3)C(c3ccc(F)cc3)C2)CC1.
What is the InChIKey of N-[1-(1-acetylpiperidine-4-carbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-4-chloro-N-methyl-3-(trifluoromethyl)benzamide?
The InChIKey is UCJSBGCUJIJLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClF4N3O3/c1-17(37)35-12-9-19(10-13-35)27(39)36-14-11-25(22(16-36)18-3-6-21(30)7-4-18)34(2)26(38)20-5-8-24(29)23(15-20)28(31,32)33/h3-8,15,19,22,25H,9-14,16H2,1-2H3.
What are the key properties of N-[1-(1-acetylpiperidine-4-carbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-4-chloro-N-methyl-3-(trifluoromethyl)benzamide?
N-[1-(1-acetylpiperidine-4-carbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-4-chloro-N-methyl-3-(trifluoromethyl)benzamide has a molecular weight of 568.01 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-acetylpiperidine-4-carbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-4-chloro-N-methyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 68930191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).