(2R)-2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]propan-1-one

C15H19FN2O2 — CID 119332040

IUPAC(2R)-2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCCC(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C15H19FN2O2/c1-10(17)15(20)18-8-2-3-12(9-18)14(19)11-4-6-13(16)7-5-11/h4-7,10,12H,2-3,8-9,17H2,1H3/t10-,12?/m1/s1
InChIKeyLEJUYYHOICIBKF-RWANSRKNSA-N
MW278.33 g/mol
LogP1.59
Rot. Bonds3

About (2R)-2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]propan-1-one

(2R)-2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]propan-1-one (PubChem CID 119332040) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is (2R)-2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]propan-1-one
PubChem CID119332040
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name(2R)-2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCCC(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C15H19FN2O2/c1-10(17)15(20)18-8-2-3-12(9-18)14(19)11-4-6-13(16)7-5-11/h4-7,10,12H,2-3,8-9,17H2,1H3/t10-,12?/m1/s1
InChIKeyLEJUYYHOICIBKF-RWANSRKNSA-N
XLogP1.59
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]ethanone
CID 119332026
cyclohexyl-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]methanone
CID 69455656
N,N-diethyl-3-(4-fluorobenzoyl)piperidine-1-carboxamide
CID 110394813
(2R)-2-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]propanoic acid
CID 100637681
(4-fluorophenyl)-[(3S)-1-(morpholine-4-carbonyl)piperidin-3-yl]methanone
CID 69455638
(4-fluorophenyl)-[1-(2-hydroxycyclopentanecarbonyl)piperidin-3-yl]methanone
CID 110014714
(4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-3-yl]methanone
CID 110394780
(2S)-2-amino-1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119282099
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 119516771
(3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxamide
CID 94164900
[(3S)-1-[(3R)-1,1-dioxothiolane-3-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone
CID 100619159
[(3S)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone
CID 16671792

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]propan-1-one (CID 119332040) is (2R)-2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]propan-1-one is C[C@@H](N)C(=O)N1CCCC(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (2R)-2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]propan-1-one?
The InChIKey is LEJUYYHOICIBKF-RWANSRKNSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-10(17)15(20)18-8-2-3-12(9-18)14(19)11-4-6-13(16)7-5-11/h4-7,10,12H,2-3,8-9,17H2,1H3/t10-,12?/m1/s1.
What are the key properties of (2R)-2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]propan-1-one?
(2R)-2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]propan-1-one has a molecular weight of 278.33 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 119332040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).