(2-fluorophenyl)-[4-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]piperidin-1-yl]methanone

C20H29FN2O2 — CID 97230073

IUPAC(2-fluorophenyl)-[4-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]piperidin-1-yl]methanone
SMILESCC1(C)C[C@@H](NC2CCN(C(=O)c3ccccc3F)CC2)C(C)(C)O1
InChIInChI=1S/C20H29FN2O2/c1-19(2)13-17(20(3,4)25-19)22-14-9-11-23(12-10-14)18(24)15-7-5-6-8-16(15)21/h5-8,14,17,22H,9-13H2,1-4H3/t17-/m1/s1
InChIKeyNMBPTBCCIWRSCM-QGZVFWFLSA-N
MW348.46 g/mol
LogP3.37
Rot. Bonds3

About (2-fluorophenyl)-[4-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]piperidin-1-yl]methanone

(2-fluorophenyl)-[4-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]piperidin-1-yl]methanone (PubChem CID 97230073) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]piperidin-1-yl]methanone
PubChem CID97230073
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC Name(2-fluorophenyl)-[4-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]piperidin-1-yl]methanone
SMILESCC1(C)C[C@@H](NC2CCN(C(=O)c3ccccc3F)CC2)C(C)(C)O1
InChIInChI=1S/C20H29FN2O2/c1-19(2)13-17(20(3,4)25-19)22-14-9-11-23(12-10-14)18(24)15-7-5-6-8-16(15)21/h5-8,14,17,22H,9-13H2,1-4H3/t17-/m1/s1
InChIKeyNMBPTBCCIWRSCM-QGZVFWFLSA-N
XLogP3.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-fluorophenyl)-[4-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]piperidin-1-yl]methanone with MolForge

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Related Compounds

phenyl-[(3R)-3-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]pyrrolidin-1-yl]methanone
CID 97323716
[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]amino]piperidin-1-yl]-(2-fluorophenyl)methanone
CID 97353146
N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 38820857
[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone
CID 126793331
1-[4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 33464627
N-[1-(2-fluorobenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110820345
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
CID 119944331
(3R)-1-(3-fluoro-2-pyridinyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrrolidin-3-amine
CID 97233255
2-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108549339
2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
CID 113083297
3-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108563637
N-[1-(2-fluorobenzoyl)piperidin-4-yl]morpholine-3-carboxamide
CID 119710946

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]piperidin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]piperidin-1-yl]methanone (CID 97230073) is (2-fluorophenyl)-[4-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]piperidin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]piperidin-1-yl]methanone is CC1(C)C[C@@H](NC2CCN(C(=O)c3ccccc3F)CC2)C(C)(C)O1.
What is the InChIKey of (2-fluorophenyl)-[4-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]piperidin-1-yl]methanone?
The InChIKey is NMBPTBCCIWRSCM-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29FN2O2/c1-19(2)13-17(20(3,4)25-19)22-14-9-11-23(12-10-14)18(24)15-7-5-6-8-16(15)21/h5-8,14,17,22H,9-13H2,1-4H3/t17-/m1/s1.
What are the key properties of (2-fluorophenyl)-[4-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]piperidin-1-yl]methanone?
(2-fluorophenyl)-[4-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]piperidin-1-yl]methanone has a molecular weight of 348.46 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 97230073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).