N-[(3R,4S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-hydroxypiperidin-3-yl]-3-(4-fluorophenyl)propanamide

C19H23FN4O5 — CID 154567745

IUPACN-[(3R,4S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-hydroxypiperidin-3-yl]-3-(4-fluorophenyl)propanamide
SMILESO=C(CCc1ccc(F)cc1)N[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@@H]1O
InChIInChI=1S/C19H23FN4O5/c20-13-4-1-12(2-5-13)3-6-16(26)22-14-10-23(8-7-15(14)25)18(28)11-24-17(27)9-21-19(24)29/h1-2,4-5,14-15,25H,3,6-11H2,(H,21,29)(H,22,26)/t14-,15+/m1/s1
InChIKeySDWAHHANHGBEND-CABCVRRESA-N
MW406.41 g/mol
LogP-0.61
Rot. Bonds6

About N-[(3R,4S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-hydroxypiperidin-3-yl]-3-(4-fluorophenyl)propanamide

N-[(3R,4S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-hydroxypiperidin-3-yl]-3-(4-fluorophenyl)propanamide (PubChem CID 154567745) has the molecular formula C19H23FN4O5 and a molecular weight of 406.41 g/mol. Its IUPAC name is N-[(3R,4S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-hydroxypiperidin-3-yl]-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-hydroxypiperidin-3-yl]-3-(4-fluorophenyl)propanamide
PubChem CID154567745
Molecular FormulaC19H23FN4O5
Molecular Weight406.41 g/mol
Exact Mass406.17
IUPAC NameN-[(3R,4S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-hydroxypiperidin-3-yl]-3-(4-fluorophenyl)propanamide
SMILESO=C(CCc1ccc(F)cc1)N[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@@H]1O
InChIInChI=1S/C19H23FN4O5/c20-13-4-1-12(2-5-13)3-6-16(26)22-14-10-23(8-7-15(14)25)18(28)11-24-17(27)9-21-19(24)29/h1-2,4-5,14-15,25H,3,6-11H2,(H,21,29)(H,22,26)/t14-,15+/m1/s1
InChIKeySDWAHHANHGBEND-CABCVRRESA-N
XLogP-0.61
TPSA119.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(3R,4S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-hydroxypiperidin-3-yl]-3-(4-fluorophenyl)propanamide 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-[(3R,4S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-hydroxypiperidin-3-yl]-3-(4-fluorophenyl)propanamide?
The IUPAC name of N-[(3R,4S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-hydroxypiperidin-3-yl]-3-(4-fluorophenyl)propanamide (CID 154567745) is N-[(3R,4S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-hydroxypiperidin-3-yl]-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-[(3R,4S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-hydroxypiperidin-3-yl]-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N-[(3R,4S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-hydroxypiperidin-3-yl]-3-(4-fluorophenyl)propanamide is O=C(CCc1ccc(F)cc1)N[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@@H]1O.
What is the InChIKey of N-[(3R,4S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-hydroxypiperidin-3-yl]-3-(4-fluorophenyl)propanamide?
The InChIKey is SDWAHHANHGBEND-CABCVRRESA-N. The full InChI is InChI=1S/C19H23FN4O5/c20-13-4-1-12(2-5-13)3-6-16(26)22-14-10-23(8-7-15(14)25)18(28)11-24-17(27)9-21-19(24)29/h1-2,4-5,14-15,25H,3,6-11H2,(H,21,29)(H,22,26)/t14-,15+/m1/s1.
What are the key properties of N-[(3R,4S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-hydroxypiperidin-3-yl]-3-(4-fluorophenyl)propanamide?
N-[(3R,4S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-hydroxypiperidin-3-yl]-3-(4-fluorophenyl)propanamide has a molecular weight of 406.41 g/mol, XLogP of -0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-hydroxypiperidin-3-yl]-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 154567745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).