1-(3-aminopropanoyl)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]piperidine-4-carboxamide

C22H23ClF3N3O3 — CID 135389535

IUPAC1-(3-aminopropanoyl)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]piperidine-4-carboxamide
SMILESNCCC(=O)N1CCC(C(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)c(Cl)c2)CC1
InChIInChI=1S/C22H23ClF3N3O3/c23-18-13-15(28-21(31)14-8-11-29(12-9-14)20(30)7-10-27)5-6-16(18)17-3-1-2-4-19(17)32-22(24,25)26/h1-6,13-14H,7-12,27H2,(H,28,31)
InChIKeyNQCQFZFCFXOMQP-UHFFFAOYSA-N
MW469.89 g/mol
LogP4.43
Rot. Bonds6

About 1-(3-aminopropanoyl)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]piperidine-4-carboxamide

1-(3-aminopropanoyl)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]piperidine-4-carboxamide (PubChem CID 135389535) has the molecular formula C22H23ClF3N3O3 and a molecular weight of 469.89 g/mol. Its IUPAC name is 1-(3-aminopropanoyl)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-aminopropanoyl)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]piperidine-4-carboxamide
PubChem CID135389535
Molecular FormulaC22H23ClF3N3O3
Molecular Weight469.89 g/mol
Exact Mass469.14
IUPAC Name1-(3-aminopropanoyl)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]piperidine-4-carboxamide
SMILESNCCC(=O)N1CCC(C(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)c(Cl)c2)CC1
InChIInChI=1S/C22H23ClF3N3O3/c23-18-13-15(28-21(31)14-8-11-29(12-9-14)20(30)7-10-27)5-6-16(18)17-3-1-2-4-19(17)32-22(24,25)26/h1-6,13-14H,7-12,27H2,(H,28,31)
InChIKeyNQCQFZFCFXOMQP-UHFFFAOYSA-N
XLogP4.43
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.89
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminopropanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119325792
trans-(1R,3R)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-3-fluorocyclohexane-1-carboxamide;hydrochloride
CID 158244045
N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxamide
CID 130292250
tert-butyl (2R)-2-[[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]carbamoyl]piperidine-1-carboxylate
CID 130292493
[2-[2-[[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]carbamoyl]piperidin-1-yl]-2-oxoethyl]-methylcarbamic acid
CID 135389516
(2R)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-1-[3-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]propanoyl]piperidine-2-carboxamide
CID 162611326
N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-1-(1-hydroxy-3-methylsulfanylpropyl)piperidine-2-carboxamide
CID 137454143
1-butanoyl-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 113008513
N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-1-(1-methylpyrazole-4-carbonyl)piperidine-2-carboxamide
CID 130292248
1-butanoyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 113007300
1-(4-aminobutanoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 119314607
1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119856586

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropanoyl)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3-aminopropanoyl)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]piperidine-4-carboxamide (CID 135389535) is 1-(3-aminopropanoyl)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-aminopropanoyl)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3-aminopropanoyl)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]piperidine-4-carboxamide is NCCC(=O)N1CCC(C(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)c(Cl)c2)CC1.
What is the InChIKey of 1-(3-aminopropanoyl)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]piperidine-4-carboxamide?
The InChIKey is NQCQFZFCFXOMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClF3N3O3/c23-18-13-15(28-21(31)14-8-11-29(12-9-14)20(30)7-10-27)5-6-16(18)17-3-1-2-4-19(17)32-22(24,25)26/h1-6,13-14H,7-12,27H2,(H,28,31).
What are the key properties of 1-(3-aminopropanoyl)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]piperidine-4-carboxamide?
1-(3-aminopropanoyl)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]piperidine-4-carboxamide has a molecular weight of 469.89 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropanoyl)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 135389535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).