N-[(1-acetylpiperidin-4-yl)methyl]-5-[4-(2-aminoethyl)phenoxy]-2-fluorobenzamide

C23H28FN3O3 — CID 171389634

IUPACN-[(1-acetylpiperidin-4-yl)methyl]-5-[4-(2-aminoethyl)phenoxy]-2-fluorobenzamide
SMILESCC(=O)N1CCC(CNC(=O)c2cc(Oc3ccc(CCN)cc3)ccc2F)CC1
InChIInChI=1S/C23H28FN3O3/c1-16(28)27-12-9-18(10-13-27)15-26-23(29)21-14-20(6-7-22(21)24)30-19-4-2-17(3-5-19)8-11-25/h2-7,14,18H,8-13,15,25H2,1H3,(H,26,29)
InChIKeyOJDXHNSNIFLNSH-UHFFFAOYSA-N
MW413.49 g/mol
LogP3.11
Rot. Bonds7

About N-[(1-acetylpiperidin-4-yl)methyl]-5-[4-(2-aminoethyl)phenoxy]-2-fluorobenzamide

N-[(1-acetylpiperidin-4-yl)methyl]-5-[4-(2-aminoethyl)phenoxy]-2-fluorobenzamide (PubChem CID 171389634) has the molecular formula C23H28FN3O3 and a molecular weight of 413.49 g/mol. Its IUPAC name is N-[(1-acetylpiperidin-4-yl)methyl]-5-[4-(2-aminoethyl)phenoxy]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(1-acetylpiperidin-4-yl)methyl]-5-[4-(2-aminoethyl)phenoxy]-2-fluorobenzamide
PubChem CID171389634
Molecular FormulaC23H28FN3O3
Molecular Weight413.49 g/mol
Exact Mass413.21
IUPAC NameN-[(1-acetylpiperidin-4-yl)methyl]-5-[4-(2-aminoethyl)phenoxy]-2-fluorobenzamide
SMILESCC(=O)N1CCC(CNC(=O)c2cc(Oc3ccc(CCN)cc3)ccc2F)CC1
InChIInChI=1S/C23H28FN3O3/c1-16(28)27-12-9-18(10-13-27)15-26-23(29)21-14-20(6-7-22(21)24)30-19-4-2-17(3-5-19)8-11-25/h2-7,14,18H,8-13,15,25H2,1H3,(H,26,29)
InChIKeyOJDXHNSNIFLNSH-UHFFFAOYSA-N
XLogP3.11
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1-acetylpiperidin-4-yl)methyl]-5-[4-(2-aminoethyl)phenoxy]-2-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(2-aminoethyl)phenoxy]-2-fluoro-N-(piperidin-3-ylmethyl)benzamide
CID 171386117
[5-[4-(2-aminoethyl)phenoxy]-2-fluorophenyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 171388917
methyl 1-[5-[4-(2-aminoethyl)phenoxy]-2-fluorobenzoyl]piperidine-4-carboxylate;hydrochloride
CID 171991943
5-[4-(2-aminoethyl)phenoxy]-N-(1,4-dioxan-2-ylmethyl)-2-fluorobenzamide
CID 171911804
N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-5-[4-(2-aminoethyl)phenoxy]-2-fluorobenzamide
CID 175640732
N-[(1-acetylpiperidin-4-yl)methyl]-2,3,4-trifluorobenzamide
CID 110736173
[5-[4-(2-aminoethyl)phenoxy]-2-fluorophenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 171907703
5-[4-(2-aminoethyl)phenoxy]-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-fluorobenzamide
CID 171387342
5-[4-(2-aminoethyl)phenoxy]-N-(4,4-difluorocyclohexyl)-2-fluorobenzamide
CID 172670767
[5-[4-(2-aminoethyl)phenoxy]-2-fluorophenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 171388740
[5-[4-(2-aminoethyl)phenoxy]-2-fluorophenyl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride
CID 172910380
[5-[4-(2-aminoethyl)phenoxy]-2-fluorophenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 171912406

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-5-[4-(2-aminoethyl)phenoxy]-2-fluorobenzamide?
The IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-5-[4-(2-aminoethyl)phenoxy]-2-fluorobenzamide (CID 171389634) is N-[(1-acetylpiperidin-4-yl)methyl]-5-[4-(2-aminoethyl)phenoxy]-2-fluorobenzamide.
What is the SMILES notation for N-[(1-acetylpiperidin-4-yl)methyl]-5-[4-(2-aminoethyl)phenoxy]-2-fluorobenzamide?
The canonical SMILES for N-[(1-acetylpiperidin-4-yl)methyl]-5-[4-(2-aminoethyl)phenoxy]-2-fluorobenzamide is CC(=O)N1CCC(CNC(=O)c2cc(Oc3ccc(CCN)cc3)ccc2F)CC1.
What is the InChIKey of N-[(1-acetylpiperidin-4-yl)methyl]-5-[4-(2-aminoethyl)phenoxy]-2-fluorobenzamide?
The InChIKey is OJDXHNSNIFLNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O3/c1-16(28)27-12-9-18(10-13-27)15-26-23(29)21-14-20(6-7-22(21)24)30-19-4-2-17(3-5-19)8-11-25/h2-7,14,18H,8-13,15,25H2,1H3,(H,26,29).
What are the key properties of N-[(1-acetylpiperidin-4-yl)methyl]-5-[4-(2-aminoethyl)phenoxy]-2-fluorobenzamide?
N-[(1-acetylpiperidin-4-yl)methyl]-5-[4-(2-aminoethyl)phenoxy]-2-fluorobenzamide has a molecular weight of 413.49 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetylpiperidin-4-yl)methyl]-5-[4-(2-aminoethyl)phenoxy]-2-fluorobenzamide is sourced from PubChem (CID 171389634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).