2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]ethanone

C14H17FN2O2 — CID 119332026

IUPAC2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCCC(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C14H17FN2O2/c15-12-5-3-10(4-6-12)14(19)11-2-1-7-17(9-11)13(18)8-16/h3-6,11H,1-2,7-9,16H2
InChIKeyRRUCSHAWNSBJOX-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.21
Rot. Bonds3

About 2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]ethanone

2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]ethanone (PubChem CID 119332026) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]ethanone
PubChem CID119332026
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCCC(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C14H17FN2O2/c15-12-5-3-10(4-6-12)14(19)11-2-1-7-17(9-11)13(18)8-16/h3-6,11H,1-2,7-9,16H2
InChIKeyRRUCSHAWNSBJOX-UHFFFAOYSA-N
XLogP1.21
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]methanone
CID 69455656
(2R)-2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]propan-1-one
CID 119332040
N,N-diethyl-3-(4-fluorobenzoyl)piperidine-1-carboxamide
CID 110394813
[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone;hydrochloride
CID 120934454
(4-fluorophenyl)-[(3S)-1-(morpholine-4-carbonyl)piperidin-3-yl]methanone
CID 69455638
(4-fluorophenyl)-[1-(2-hydroxycyclopentanecarbonyl)piperidin-3-yl]methanone
CID 110014714
[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone
CID 119798418
[(3S)-1-[(3R)-1,1-dioxothiolane-3-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone
CID 100619159
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
2-amino-1-[3-(4-fluoroanilino)piperidin-1-yl]ethanone
CID 56883388
1-[[3-(4-fluorobenzoyl)piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 154746801
[(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone
CID 69455246

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]ethanone (CID 119332026) is 2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]ethanone is NCC(=O)N1CCCC(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]ethanone?
The InChIKey is RRUCSHAWNSBJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c15-12-5-3-10(4-6-12)14(19)11-2-1-7-17(9-11)13(18)8-16/h3-6,11H,1-2,7-9,16H2.
What are the key properties of 2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]ethanone?
2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]ethanone has a molecular weight of 264.30 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 119332026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).