[(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-3-hydroxypiperidin-1-yl]-pyridin-2-ylmethanone

C21H25FN4O2 — CID 28882477

IUPAC[(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-3-hydroxypiperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CC[C@@H](N2CCN(c3ccccc3F)CC2)[C@H](O)C1
InChIInChI=1S/C21H25FN4O2/c22-16-5-1-2-7-18(16)24-11-13-25(14-12-24)19-8-10-26(15-20(19)27)21(28)17-6-3-4-9-23-17/h1-7,9,19-20,27H,8,10-15H2/t19-,20-/m1/s1
InChIKeyBCHFMCHVHHHLID-WOJBJXKFSA-N
MW384.46 g/mol
LogP1.62
Rot. Bonds3

About [(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-3-hydroxypiperidin-1-yl]-pyridin-2-ylmethanone

[(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-3-hydroxypiperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 28882477) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is [(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-3-hydroxypiperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-3-hydroxypiperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID28882477
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name[(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-3-hydroxypiperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CC[C@@H](N2CCN(c3ccccc3F)CC2)[C@H](O)C1
InChIInChI=1S/C21H25FN4O2/c22-16-5-1-2-7-18(16)24-11-13-25(14-12-24)19-8-10-26(15-20(19)27)21(28)17-6-3-4-9-23-17/h1-7,9,19-20,27H,8,10-15H2/t19-,20-/m1/s1
InChIKeyBCHFMCHVHHHLID-WOJBJXKFSA-N
XLogP1.62
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-3-hydroxypiperidin-1-yl]-pyridin-2-ylmethanone 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 [(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-3-hydroxypiperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-3-hydroxypiperidin-1-yl]-pyridin-2-ylmethanone (CID 28882477) is [(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-3-hydroxypiperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-3-hydroxypiperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-3-hydroxypiperidin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CC[C@@H](N2CCN(c3ccccc3F)CC2)[C@H](O)C1.
What is the InChIKey of [(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-3-hydroxypiperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is BCHFMCHVHHHLID-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H25FN4O2/c22-16-5-1-2-7-18(16)24-11-13-25(14-12-24)19-8-10-26(15-20(19)27)21(28)17-6-3-4-9-23-17/h1-7,9,19-20,27H,8,10-15H2/t19-,20-/m1/s1.
What are the key properties of [(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-3-hydroxypiperidin-1-yl]-pyridin-2-ylmethanone?
[(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-3-hydroxypiperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 384.46 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-3-hydroxypiperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 28882477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).