N-[4-fluoro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide

C16H22FN3O2 — CID 119395232

IUPACN-[4-fluoro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide
SMILESCNCC1CCCN(C(=O)c2cc(NC(C)=O)ccc2F)C1
InChIInChI=1S/C16H22FN3O2/c1-11(21)19-13-5-6-15(17)14(8-13)16(22)20-7-3-4-12(10-20)9-18-2/h5-6,8,12,18H,3-4,7,9-10H2,1-2H3,(H,19,21)
InChIKeyAQVNDFOEZDMJRY-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.86
Rot. Bonds4

About N-[4-fluoro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide

N-[4-fluoro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide (PubChem CID 119395232) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is N-[4-fluoro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide
PubChem CID119395232
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC NameN-[4-fluoro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide
SMILESCNCC1CCCN(C(=O)c2cc(NC(C)=O)ccc2F)C1
InChIInChI=1S/C16H22FN3O2/c1-11(21)19-13-5-6-15(17)14(8-13)16(22)20-7-3-4-12(10-20)9-18-2/h5-6,8,12,18H,3-4,7,9-10H2,1-2H3,(H,19,21)
InChIKeyAQVNDFOEZDMJRY-UHFFFAOYSA-N
XLogP1.86
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-fluoro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 119395231
N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride
CID 119409656
(4-chloro-2-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119395341
(2-fluoro-4-methylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397919
(4-chloro-2-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204723
(2-fluoro-4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 103804906
N-[4-chloro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 119399019
[3-(methylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone;hydrochloride
CID 119398801
(2-chloro-4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205270
[3-(methylaminomethyl)piperidin-1-yl]-(2,4,6-trifluorophenyl)methanone;hydrochloride
CID 119396984
(5-chloro-2-nitrophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204730
(5-fluoro-2-nitrophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61206549

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[4-fluoro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide (CID 119395232) is N-[4-fluoro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-fluoro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[4-fluoro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide is CNCC1CCCN(C(=O)c2cc(NC(C)=O)ccc2F)C1.
What is the InChIKey of N-[4-fluoro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide?
The InChIKey is AQVNDFOEZDMJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-11(21)19-13-5-6-15(17)14(8-13)16(22)20-7-3-4-12(10-20)9-18-2/h5-6,8,12,18H,3-4,7,9-10H2,1-2H3,(H,19,21).
What are the key properties of N-[4-fluoro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide?
N-[4-fluoro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide has a molecular weight of 307.37 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 119395232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).