N-(4-tert-butylphenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide

C25H30F2N2O2 — CID 55738263

IUPACN-(4-tert-butylphenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(C(C)(C)C)cc1)N1CCC(C(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C25H30F2N2O2/c1-16(24(31)28-20-8-5-18(6-9-20)25(2,3)4)29-13-11-17(12-14-29)23(30)21-15-19(26)7-10-22(21)27/h5-10,15-17H,11-14H2,1-4H3,(H,28,31)
InChIKeySGPJVQYEGYNXQE-UHFFFAOYSA-N
MW428.52 g/mol
LogP5.18
Rot. Bonds5

About N-(4-tert-butylphenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide

N-(4-tert-butylphenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide (PubChem CID 55738263) has the molecular formula C25H30F2N2O2 and a molecular weight of 428.52 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide
PubChem CID55738263
Molecular FormulaC25H30F2N2O2
Molecular Weight428.52 g/mol
Exact Mass428.23
IUPAC NameN-(4-tert-butylphenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(C(C)(C)C)cc1)N1CCC(C(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C25H30F2N2O2/c1-16(24(31)28-20-8-5-18(6-9-20)25(2,3)4)29-13-11-17(12-14-29)23(30)21-15-19(26)7-10-22(21)27/h5-10,15-17H,11-14H2,1-4H3,(H,28,31)
InChIKeySGPJVQYEGYNXQE-UHFFFAOYSA-N
XLogP5.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.52
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 55842357
1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907159
N-(4-tert-butylphenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanamide
CID 55832940
N-[(4-fluorophenyl)methyl]-1-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide
CID 55839186
N-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylacetamide
CID 51119993
1-[1-[(2S)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 94878702
N-(tert-butylcarbamoyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide
CID 55738197
2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 111114019
1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 9443641
1-[1-(2,5-difluoroanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 119905072
N-(4-fluorophenyl)-2-piperazin-1-ylpropanamide
CID 43089583
N-(3,4-difluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 60500653

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide (CID 55738263) is N-(4-tert-butylphenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide is CC(C(=O)Nc1ccc(C(C)(C)C)cc1)N1CCC(C(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide?
The InChIKey is SGPJVQYEGYNXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N2O2/c1-16(24(31)28-20-8-5-18(6-9-20)25(2,3)4)29-13-11-17(12-14-29)23(30)21-15-19(26)7-10-22(21)27/h5-10,15-17H,11-14H2,1-4H3,(H,28,31).
What are the key properties of N-(4-tert-butylphenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide?
N-(4-tert-butylphenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide has a molecular weight of 428.52 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 55738263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).