3-fluoro-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide

C18H26FN3O2 — CID 110285662

IUPAC3-fluoro-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide
SMILESCC(C)C[C@H](NC(=O)c1cccc(F)c1)C(=O)N1CCN(C)CC1
InChIInChI=1S/C18H26FN3O2/c1-13(2)11-16(18(24)22-9-7-21(3)8-10-22)20-17(23)14-5-4-6-15(19)12-14/h4-6,12-13,16H,7-11H2,1-3H3,(H,20,23)/t16-/m0/s1
InChIKeyKGLAZORENNILRG-INIZCTEOSA-N
MW335.42 g/mol
LogP1.74
Rot. Bonds5

About 3-fluoro-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide

3-fluoro-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide (PubChem CID 110285662) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 3-fluoro-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide
PubChem CID110285662
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name3-fluoro-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide
SMILESCC(C)C[C@H](NC(=O)c1cccc(F)c1)C(=O)N1CCN(C)CC1
InChIInChI=1S/C18H26FN3O2/c1-13(2)11-16(18(24)22-9-7-21(3)8-10-22)20-17(23)14-5-4-6-15(19)12-14/h4-6,12-13,16H,7-11H2,1-3H3,(H,20,23)/t16-/m0/s1
InChIKeyKGLAZORENNILRG-INIZCTEOSA-N
XLogP1.74
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluorophenyl)-N-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]propanamide
CID 110625625
3,4-dimethoxy-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide
CID 110285675
N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-3-methylsulfonylbenzamide
CID 110313233
3-fluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 110347745
4-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
CID 146680933
4-fluoro-N-[5-hydroxy-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide
CID 123672364
[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]urea
CID 60634818
2-methyl-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]propanamide
CID 110285648
N-(1-amino-4-methylpentan-2-yl)-3-fluorobenzamide
CID 55243905
4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
CID 110351340
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-4-(trifluoromethyl)benzamide
CID 110351388
N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]pyridine-3-carboxamide
CID 110351611

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide?
The IUPAC name of 3-fluoro-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide (CID 110285662) is 3-fluoro-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide is CC(C)C[C@H](NC(=O)c1cccc(F)c1)C(=O)N1CCN(C)CC1.
What is the InChIKey of 3-fluoro-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide?
The InChIKey is KGLAZORENNILRG-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-13(2)11-16(18(24)22-9-7-21(3)8-10-22)20-17(23)14-5-4-6-15(19)12-14/h4-6,12-13,16H,7-11H2,1-3H3,(H,20,23)/t16-/m0/s1.
What are the key properties of 3-fluoro-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide?
3-fluoro-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide has a molecular weight of 335.42 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 110285662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).