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

C16H23ClFN3O2 — CID 119395231

IUPACN-[4-fluoro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride
SMILESCNCC1CCCN(C(=O)c2cc(NC(C)=O)ccc2F)C1.Cl
InChIInChI=1S/C16H22FN3O2.ClH/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);1H
InChIKeySJVGIXQRNRBFPH-UHFFFAOYSA-N
MW343.83 g/mol
LogP2.28
Rot. Bonds4

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

N-[4-fluoro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride (PubChem CID 119395231) has the molecular formula C16H23ClFN3O2 and a molecular weight of 343.83 g/mol. Its IUPAC name is N-[4-fluoro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-fluoro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride
PubChem CID119395231
Molecular FormulaC16H23ClFN3O2
Molecular Weight343.83 g/mol
Exact Mass343.15
IUPAC NameN-[4-fluoro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride
SMILESCNCC1CCCN(C(=O)c2cc(NC(C)=O)ccc2F)C1.Cl
InChIInChI=1S/C16H22FN3O2.ClH/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);1H
InChIKeySJVGIXQRNRBFPH-UHFFFAOYSA-N
XLogP2.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.83
LogP ≤ 52.28
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
CID 119395232
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
[3-(methylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone;hydrochloride
CID 119398801
N-[4-chloro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 119399019
[3-(methylaminomethyl)piperidin-1-yl]-(2,4,6-trifluorophenyl)methanone;hydrochloride
CID 119396984
(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-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 119538355
(4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397460
(2-chloro-4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205270

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-fluoro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride (CID 119395231) is N-[4-fluoro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-fluoro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-fluoro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride is CNCC1CCCN(C(=O)c2cc(NC(C)=O)ccc2F)C1.Cl.
What is the InChIKey of N-[4-fluoro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride?
The InChIKey is SJVGIXQRNRBFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2.ClH/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);1H.
What are the key properties of N-[4-fluoro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride?
N-[4-fluoro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride has a molecular weight of 343.83 g/mol, XLogP of 2.28, 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;hydrochloride is sourced from PubChem (CID 119395231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).