N-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]-2-(4-methylpyrazol-1-yl)propanamide

C27H29F3N4O3 — CID 171683666

IUPACN-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]-2-(4-methylpyrazol-1-yl)propanamide
SMILESCCOc1c(F)c(F)cc(C(=O)N2CCC(c3ccc(NC(=O)C(C)n4cc(C)cn4)cc3)CC2)c1F
InChIInChI=1S/C27H29F3N4O3/c1-4-37-25-23(29)21(13-22(28)24(25)30)27(36)33-11-9-19(10-12-33)18-5-7-20(8-6-18)32-26(35)17(3)34-15-16(2)14-31-34/h5-8,13-15,17,19H,4,9-12H2,1-3H3,(H,32,35)
InChIKeyKWWWGEATKFKHFL-UHFFFAOYSA-N
MW514.55 g/mol
LogP5.23
Rot. Bonds7

About N-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]-2-(4-methylpyrazol-1-yl)propanamide

N-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]-2-(4-methylpyrazol-1-yl)propanamide (PubChem CID 171683666) has the molecular formula C27H29F3N4O3 and a molecular weight of 514.55 g/mol. Its IUPAC name is N-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]-2-(4-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]-2-(4-methylpyrazol-1-yl)propanamide
PubChem CID171683666
Molecular FormulaC27H29F3N4O3
Molecular Weight514.55 g/mol
Exact Mass514.22
IUPAC NameN-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]-2-(4-methylpyrazol-1-yl)propanamide
SMILESCCOc1c(F)c(F)cc(C(=O)N2CCC(c3ccc(NC(=O)C(C)n4cc(C)cn4)cc3)CC2)c1F
InChIInChI=1S/C27H29F3N4O3/c1-4-37-25-23(29)21(13-22(28)24(25)30)27(36)33-11-9-19(10-12-33)18-5-7-20(8-6-18)32-26(35)17(3)34-15-16(2)14-31-34/h5-8,13-15,17,19H,4,9-12H2,1-3H3,(H,32,35)
InChIKeyKWWWGEATKFKHFL-UHFFFAOYSA-N
XLogP5.23
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.55
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]-2-(4-methylpyrazol-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]-3-(2-methyl-3-pyridinyl)propanamide
CID 171685778
N-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]imidazo[1,5-a]pyridine-8-carboxamide
CID 171683788
2-acetamido-N-[4-[1-(2-cyclopropylbenzoyl)piperidin-4-yl]phenyl]-3-(3,4,5-trifluorophenyl)propanamide
CID 171698738
N-(3,5-difluoro-2-pyridinyl)-4-[4-[(3-ethoxyphenyl)carbamoylamino]phenyl]piperidine-1-carboxamide
CID 69452897
ethyl 2-fluoro-3-[4-[4-[[2-(4-fluoroindol-1-yl)acetyl]amino]phenyl]piperidine-1-carbonyl]benzoate
CID 171681792
2,4-difluoro-3,5-dimethoxy-N-[4-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]phenyl]benzamide
CID 171698533
2-(4-methylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 19534360
ethyl 2-fluoro-3-[[4-[1-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)piperidin-4-yl]phenyl]carbamoyl]benzoate
CID 171681767
N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(4-methylpyrazol-1-yl)propanamide
CID 131943576
(E)-N-[4-[1-(5-chloro-2-ethoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]-2-methyl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 171678230
3-ethoxy-2,4,5-trifluorobenzoic acid
CID 10632694
4-(cyclopropylmethoxy)-N-[4-[1-(5-fluoro-6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]benzamide
CID 171684282

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]-2-(4-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]-2-(4-methylpyrazol-1-yl)propanamide (CID 171683666) is N-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]-2-(4-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]-2-(4-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]-2-(4-methylpyrazol-1-yl)propanamide is CCOc1c(F)c(F)cc(C(=O)N2CCC(c3ccc(NC(=O)C(C)n4cc(C)cn4)cc3)CC2)c1F.
What is the InChIKey of N-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]-2-(4-methylpyrazol-1-yl)propanamide?
The InChIKey is KWWWGEATKFKHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3N4O3/c1-4-37-25-23(29)21(13-22(28)24(25)30)27(36)33-11-9-19(10-12-33)18-5-7-20(8-6-18)32-26(35)17(3)34-15-16(2)14-31-34/h5-8,13-15,17,19H,4,9-12H2,1-3H3,(H,32,35).
What are the key properties of N-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]-2-(4-methylpyrazol-1-yl)propanamide?
N-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]-2-(4-methylpyrazol-1-yl)propanamide has a molecular weight of 514.55 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]-2-(4-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 171683666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).