N-[1-(3-amino-4-fluorobenzoyl)piperidin-4-yl]acetamide

C14H18FN3O2 — CID 115738808

IUPACN-[1-(3-amino-4-fluorobenzoyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2ccc(F)c(N)c2)CC1
InChIInChI=1S/C14H18FN3O2/c1-9(19)17-11-4-6-18(7-5-11)14(20)10-2-3-12(15)13(16)8-10/h2-3,8,11H,4-7,16H2,1H3,(H,17,19)
InChIKeyOBOQIQZXUGCHLC-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.15
Rot. Bonds2

About N-[1-(3-amino-4-fluorobenzoyl)piperidin-4-yl]acetamide

N-[1-(3-amino-4-fluorobenzoyl)piperidin-4-yl]acetamide (PubChem CID 115738808) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-[1-(3-amino-4-fluorobenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3-amino-4-fluorobenzoyl)piperidin-4-yl]acetamide
PubChem CID115738808
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC NameN-[1-(3-amino-4-fluorobenzoyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2ccc(F)c(N)c2)CC1
InChIInChI=1S/C14H18FN3O2/c1-9(19)17-11-4-6-18(7-5-11)14(20)10-2-3-12(15)13(16)8-10/h2-3,8,11H,4-7,16H2,1H3,(H,17,19)
InChIKeyOBOQIQZXUGCHLC-UHFFFAOYSA-N
XLogP1.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 49348900
N-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]acetamide
CID 113228864
(3-amino-4-fluorophenyl)-piperidin-1-ylmethanone
CID 39245269
N-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide
CID 47250997
N-[1-(4-bromo-3-methylbenzoyl)piperidin-4-yl]acetamide
CID 115770342
methyl N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]carbamate
CID 110821660
N-[1-(4-iodobenzoyl)piperidin-4-yl]acetamide
CID 49348956
N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051606
N-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051605
N-[1-(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)piperidin-4-yl]acetamide
CID 108564583
(3-amino-4-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 39354170
(4-fluoro-3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 90382644

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-4-fluorobenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-(3-amino-4-fluorobenzoyl)piperidin-4-yl]acetamide (CID 115738808) is N-[1-(3-amino-4-fluorobenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(3-amino-4-fluorobenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(3-amino-4-fluorobenzoyl)piperidin-4-yl]acetamide is CC(=O)NC1CCN(C(=O)c2ccc(F)c(N)c2)CC1.
What is the InChIKey of N-[1-(3-amino-4-fluorobenzoyl)piperidin-4-yl]acetamide?
The InChIKey is OBOQIQZXUGCHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-9(19)17-11-4-6-18(7-5-11)14(20)10-2-3-12(15)13(16)8-10/h2-3,8,11H,4-7,16H2,1H3,(H,17,19).
What are the key properties of N-[1-(3-amino-4-fluorobenzoyl)piperidin-4-yl]acetamide?
N-[1-(3-amino-4-fluorobenzoyl)piperidin-4-yl]acetamide has a molecular weight of 279.31 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-amino-4-fluorobenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 115738808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).