N-[1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide

C20H29FN2O2 — CID 136577855

IUPACN-[1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)N1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C20H29FN2O2/c1-14(22-19(25)20(2,3)4)18(24)23-10-8-15(9-11-23)12-16-6-5-7-17(21)13-16/h5-7,13-15H,8-12H2,1-4H3,(H,22,25)
InChIKeyRQNKUTFUXCZNAZ-UHFFFAOYSA-N
MW348.46 g/mol
LogP3.16
Rot. Bonds4

About N-[1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide

N-[1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide (PubChem CID 136577855) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is N-[1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
PubChem CID136577855
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC NameN-[1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)N1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C20H29FN2O2/c1-14(22-19(25)20(2,3)4)18(24)23-10-8-15(9-11-23)12-16-6-5-7-17(21)13-16/h5-7,13-15H,8-12H2,1-4H3,(H,22,25)
InChIKeyRQNKUTFUXCZNAZ-UHFFFAOYSA-N
XLogP3.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 119736878
[(2R)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]urea
CID 71919535
(2S)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 95648489
N-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]acetamide
CID 78780530
N-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 94035900
2-(cyclopropylmethylamino)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone;hydrochloride
CID 119736883
methyl N-[(2S)-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 97187729
2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanamide
CID 47053789
tert-butyl (3R)-3-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxylate
CID 71006943
N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide
CID 110348046
1-[4-[(3-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43434840
2,2,2-trifluoro-1-[(3S)-3-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone
CID 90117452

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide (CID 136577855) is N-[1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide is CC(NC(=O)C(C)(C)C)C(=O)N1CCC(Cc2cccc(F)c2)CC1.
What is the InChIKey of N-[1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is RQNKUTFUXCZNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O2/c1-14(22-19(25)20(2,3)4)18(24)23-10-8-15(9-11-23)12-16-6-5-7-17(21)13-16/h5-7,13-15H,8-12H2,1-4H3,(H,22,25).
What are the key properties of N-[1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
N-[1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 348.46 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 136577855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).