N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]-2-piperidin-1-ylacetamide;2,2,2-trifluoroacetic acid

C29H36F3N5O5 — CID 11599628

IUPACN-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]-2-piperidin-1-ylacetamide;2,2,2-trifluoroacetic acid
SMILESCC(C)c1ccc(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)cc1NC(=O)CN1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C27H35N5O3.C2HF3O2/c1-19(2)22-9-8-21(16-23(22)29-24(33)18-30-14-6-5-7-15-30)32-25(34)27(3,4)31(26(32)35)17-20-10-12-28-13-11-20;3-2(4,5)1(6)7/h8-13,16,19H,5-7,14-15,17-18H2,1-4H3,(H,29,33);(H,6,7)
InChIKeyUNCJYYIUMAPTRS-UHFFFAOYSA-N
MW591.63 g/mol
LogP5.01
Rot. Bonds7

About N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]-2-piperidin-1-ylacetamide;2,2,2-trifluoroacetic acid

N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]-2-piperidin-1-ylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 11599628) has the molecular formula C29H36F3N5O5 and a molecular weight of 591.63 g/mol. Its IUPAC name is N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]-2-piperidin-1-ylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]-2-piperidin-1-ylacetamide;2,2,2-trifluoroacetic acid
PubChem CID11599628
Molecular FormulaC29H36F3N5O5
Molecular Weight591.63 g/mol
Exact Mass591.27
IUPAC NameN-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]-2-piperidin-1-ylacetamide;2,2,2-trifluoroacetic acid
SMILESCC(C)c1ccc(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)cc1NC(=O)CN1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C27H35N5O3.C2HF3O2/c1-19(2)22-9-8-21(16-23(22)29-24(33)18-30-14-6-5-7-15-30)32-25(34)27(3,4)31(26(32)35)17-20-10-12-28-13-11-20;3-2(4,5)1(6)7/h8-13,16,19H,5-7,14-15,17-18H2,1-4H3,(H,29,33);(H,6,7)
InChIKeyUNCJYYIUMAPTRS-UHFFFAOYSA-N
XLogP5.01
TPSA123.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.63
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]-2-piperidin-1-ylacetamide;2,2,2-trifluoroacetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]-2-piperidin-1-ylacetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]-2-piperidin-1-ylacetamide;2,2,2-trifluoroacetic acid (CID 11599628) is N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]-2-piperidin-1-ylacetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]-2-piperidin-1-ylacetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]-2-piperidin-1-ylacetamide;2,2,2-trifluoroacetic acid is CC(C)c1ccc(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)cc1NC(=O)CN1CCCCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]-2-piperidin-1-ylacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is UNCJYYIUMAPTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O3.C2HF3O2/c1-19(2)22-9-8-21(16-23(22)29-24(33)18-30-14-6-5-7-15-30)32-25(34)27(3,4)31(26(32)35)17-20-10-12-28-13-11-20;3-2(4,5)1(6)7/h8-13,16,19H,5-7,14-15,17-18H2,1-4H3,(H,29,33);(H,6,7).
What are the key properties of N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]-2-piperidin-1-ylacetamide;2,2,2-trifluoroacetic acid?
N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]-2-piperidin-1-ylacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 591.63 g/mol, XLogP of 5.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]-2-piperidin-1-ylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 11599628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).