(3R)-1-(2-fluorophenyl)-3-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]amino]piperidin-2-one

C23H27F2N3O — CID 97333005

IUPAC(3R)-1-(2-fluorophenyl)-3-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]amino]piperidin-2-one
SMILESO=C1[C@H](NC2CCN(Cc3cccc(F)c3)CC2)CCCN1c1ccccc1F
InChIInChI=1S/C23H27F2N3O/c24-18-6-3-5-17(15-18)16-27-13-10-19(11-14-27)26-21-8-4-12-28(23(21)29)22-9-2-1-7-20(22)25/h1-3,5-7,9,15,19,21,26H,4,8,10-14,16H2/t21-/m1/s1
InChIKeyTWJCAKBHWNQTTF-OAQYLSRUSA-N
MW399.49 g/mol
LogP3.71
Rot. Bonds5

About (3R)-1-(2-fluorophenyl)-3-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]amino]piperidin-2-one

(3R)-1-(2-fluorophenyl)-3-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]amino]piperidin-2-one (PubChem CID 97333005) has the molecular formula C23H27F2N3O and a molecular weight of 399.49 g/mol. Its IUPAC name is (3R)-1-(2-fluorophenyl)-3-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]amino]piperidin-2-one.

Molecular Properties

Compound Name(3R)-1-(2-fluorophenyl)-3-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]amino]piperidin-2-one
PubChem CID97333005
Molecular FormulaC23H27F2N3O
Molecular Weight399.49 g/mol
Exact Mass399.21
IUPAC Name(3R)-1-(2-fluorophenyl)-3-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]amino]piperidin-2-one
SMILESO=C1[C@H](NC2CCN(Cc3cccc(F)c3)CC2)CCCN1c1ccccc1F
InChIInChI=1S/C23H27F2N3O/c24-18-6-3-5-17(15-18)16-27-13-10-19(11-14-27)26-21-8-4-12-28(23(21)29)22-9-2-1-7-20(22)25/h1-3,5-7,9,15,19,21,26H,4,8,10-14,16H2/t21-/m1/s1
InChIKeyTWJCAKBHWNQTTF-OAQYLSRUSA-N
XLogP3.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-(2-fluorophenyl)-3-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]amino]piperidin-2-one 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

methyl 4-[[(3R)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]cyclohexane-1-carboxylate
CID 99836421
2,2-difluoro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 158389197
1-(4-fluoro-2-methylphenyl)-3-(oxan-4-ylamino)piperidin-2-one
CID 118740667
1-(1-benzylpiperidin-4-yl)-4-[(3-fluorophenyl)methyl]piperazine
CID 1361233
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 39959483
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
(3R,4R)-4-(cyclopropylamino)-1-[(3-fluorophenyl)methyl]piperidin-3-ol
CID 92568648
N-(2,5-dimethylphenyl)-1-[(3-fluorophenyl)methyl]piperidin-4-amine
CID 3665412
2-[2-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid
CID 120551295
2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyethanamine
CID 82692849
(3S)-N-benzyl-1-[(3-fluorophenyl)methyl]piperidin-3-amine
CID 97082368
N-(1-benzylpyrrolidin-3-yl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55360345

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-fluorophenyl)-3-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]amino]piperidin-2-one?
The IUPAC name of (3R)-1-(2-fluorophenyl)-3-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]amino]piperidin-2-one (CID 97333005) is (3R)-1-(2-fluorophenyl)-3-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]amino]piperidin-2-one.
What is the SMILES notation for (3R)-1-(2-fluorophenyl)-3-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]amino]piperidin-2-one?
The canonical SMILES for (3R)-1-(2-fluorophenyl)-3-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]amino]piperidin-2-one is O=C1[C@H](NC2CCN(Cc3cccc(F)c3)CC2)CCCN1c1ccccc1F.
What is the InChIKey of (3R)-1-(2-fluorophenyl)-3-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]amino]piperidin-2-one?
The InChIKey is TWJCAKBHWNQTTF-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H27F2N3O/c24-18-6-3-5-17(15-18)16-27-13-10-19(11-14-27)26-21-8-4-12-28(23(21)29)22-9-2-1-7-20(22)25/h1-3,5-7,9,15,19,21,26H,4,8,10-14,16H2/t21-/m1/s1.
What are the key properties of (3R)-1-(2-fluorophenyl)-3-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]amino]piperidin-2-one?
(3R)-1-(2-fluorophenyl)-3-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]amino]piperidin-2-one has a molecular weight of 399.49 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-fluorophenyl)-3-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]amino]piperidin-2-one is sourced from PubChem (CID 97333005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).