[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone

C17H24FN3O — CID 95729352

IUPAC[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FN3O/c1-19-10-12-20(13-11-19)17(22)21-9-3-2-4-16(21)14-5-7-15(18)8-6-14/h5-8,16H,2-4,9-13H2,1H3/t16-/m1/s1
InChIKeyOXNYQWRCAOAWPG-MRXNPFEDSA-N
MW305.40 g/mol
LogP2.72
Rot. Bonds1

About [(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone

[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 95729352) has the molecular formula C17H24FN3O and a molecular weight of 305.40 g/mol. Its IUPAC name is [(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID95729352
Molecular FormulaC17H24FN3O
Molecular Weight305.40 g/mol
Exact Mass305.19
IUPAC Name[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FN3O/c1-19-10-12-20(13-11-19)17(22)21-9-3-2-4-16(21)14-5-7-15(18)8-6-14/h5-8,16H,2-4,9-13H2,1H3/t16-/m1/s1
InChIKeyOXNYQWRCAOAWPG-MRXNPFEDSA-N
XLogP2.72
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(2R)-2-(4-fluorophenyl)piperidin-1-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

Related Compounds

2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride
CID 119338691
3,3-difluoro-1-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]butan-1-one
CID 124890583
5-[2-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 70770514
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 50747022
[2-(4-fluorophenyl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120637114
[2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl)methanone
CID 78083705
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one
CID 51075833
[2-(4-fluorophenyl)piperidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 70754050
[2-(4-fluorophenyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 70744880
[2-(4-fluorophenyl)piperidin-1-yl]-(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)methanone
CID 131911013
cyclopropyl-[4-[(2R)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone
CID 97149488
[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 95283621

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone (CID 95729352) is [(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)CC1.
What is the InChIKey of [(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is OXNYQWRCAOAWPG-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24FN3O/c1-19-10-12-20(13-11-19)17(22)21-9-3-2-4-16(21)14-5-7-15(18)8-6-14/h5-8,16H,2-4,9-13H2,1H3/t16-/m1/s1.
What are the key properties of [(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 305.40 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 95729352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).