[(2S,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone

C19H26FN3O2 — CID 97388564

IUPAC[(2S,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)[C@@H]2C[C@@H]3CCN(c4cccc(F)c4)C[C@H]3O2)CC1
InChIInChI=1S/C19H26FN3O2/c1-21-7-9-22(10-8-21)19(24)17-11-14-5-6-23(13-18(14)25-17)16-4-2-3-15(20)12-16/h2-4,12,14,17-18H,5-11,13H2,1H3/t14-,17-,18+/m0/s1
InChIKeyHLUCRPNAEMFSGF-JCGIZDLHSA-N
MW347.43 g/mol
LogP1.58
Rot. Bonds2

About [(2S,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone

[(2S,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 97388564) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is [(2S,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(2S,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID97388564
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name[(2S,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)[C@@H]2C[C@@H]3CCN(c4cccc(F)c4)C[C@H]3O2)CC1
InChIInChI=1S/C19H26FN3O2/c1-21-7-9-22(10-8-21)19(24)17-11-14-5-6-23(13-18(14)25-17)16-4-2-3-15(20)12-16/h2-4,12,14,17-18H,5-11,13H2,1H3/t14-,17-,18+/m0/s1
InChIKeyHLUCRPNAEMFSGF-JCGIZDLHSA-N
XLogP1.58
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone 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 [(2S,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [(2S,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 97388564) is [(2S,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [(2S,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [(2S,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)[C@@H]2C[C@@H]3CCN(c4cccc(F)c4)C[C@H]3O2)CC1.
What is the InChIKey of [(2S,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is HLUCRPNAEMFSGF-JCGIZDLHSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-21-7-9-22(10-8-21)19(24)17-11-14-5-6-23(13-18(14)25-17)16-4-2-3-15(20)12-16/h2-4,12,14,17-18H,5-11,13H2,1H3/t14-,17-,18+/m0/s1.
What are the key properties of [(2S,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone?
[(2S,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 347.43 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 97388564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).