2-fluoro-6-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzamide

C15H22FN3O — CID 79523125

IUPAC2-fluoro-6-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzamide
SMILESCNCCC1CCCCN1c1cccc(F)c1C(N)=O
InChIInChI=1S/C15H22FN3O/c1-18-9-8-11-5-2-3-10-19(11)13-7-4-6-12(16)14(13)15(17)20/h4,6-7,11,18H,2-3,5,8-10H2,1H3,(H2,17,20)
InChIKeyBZIYPZJRCKTCJH-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.89
Rot. Bonds5

About 2-fluoro-6-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzamide

2-fluoro-6-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzamide (PubChem CID 79523125) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-fluoro-6-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-6-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzamide
PubChem CID79523125
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-fluoro-6-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzamide
SMILESCNCCC1CCCCN1c1cccc(F)c1C(N)=O
InChIInChI=1S/C15H22FN3O/c1-18-9-8-11-5-2-3-10-19(11)13-7-4-6-12(16)14(13)15(17)20/h4,6-7,11,18H,2-3,5,8-10H2,1H3,(H2,17,20)
InChIKeyBZIYPZJRCKTCJH-UHFFFAOYSA-N
XLogP1.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-fluoro-6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]ethanone
CID 62469359
1-(2-carbamoyl-3-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 79513371
2-(2-ethylpyrrolidin-1-yl)-6-fluorobenzenecarbothioamide
CID 79513153
[2-[2-(methylamino)ethyl]piperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 65100880
2-[1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine
CID 107303791
2-[2-(aminomethyl)pyrrolidin-1-yl]-6-chlorobenzamide
CID 113284612
2-(2-ethylazepan-1-yl)-6-fluoroaniline
CID 104688888
1-(2-carbamothioyl-3-fluorophenyl)piperidine-2-carboxamide
CID 79513346
2-[1-(4-fluoro-5-methyl-2-nitrophenyl)piperidin-2-yl]-N-methylethanamine
CID 103594189
1-(2-carbamoyl-3-fluorophenyl)-N-ethylpiperazine-2-carboxamide
CID 79515950
2-[1-(5-chloro-2-nitrophenyl)piperidin-2-yl]-N-methylethanamine
CID 115471874
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-6-fluorobenzamide
CID 114961745

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzamide?
The IUPAC name of 2-fluoro-6-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzamide (CID 79523125) is 2-fluoro-6-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzamide.
What is the SMILES notation for 2-fluoro-6-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzamide?
The canonical SMILES for 2-fluoro-6-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzamide is CNCCC1CCCCN1c1cccc(F)c1C(N)=O.
What is the InChIKey of 2-fluoro-6-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzamide?
The InChIKey is BZIYPZJRCKTCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-18-9-8-11-5-2-3-10-19(11)13-7-4-6-12(16)14(13)15(17)20/h4,6-7,11,18H,2-3,5,8-10H2,1H3,(H2,17,20).
What are the key properties of 2-fluoro-6-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzamide?
2-fluoro-6-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzamide has a molecular weight of 279.36 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzamide is sourced from PubChem (CID 79523125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).