N-[(1R)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-[(2R)-oxolan-2-yl]acetamide

C19H28FN3O2 — CID 94616427

IUPACN-[(1R)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-[(2R)-oxolan-2-yl]acetamide
SMILESC[C@@H](NC(=O)C[C@H]1CCCO1)c1ccc(N2CCN(C)CC2)c(F)c1
InChIInChI=1S/C19H28FN3O2/c1-14(21-19(24)13-16-4-3-11-25-16)15-5-6-18(17(20)12-15)23-9-7-22(2)8-10-23/h5-6,12,14,16H,3-4,7-11,13H2,1-2H3,(H,21,24)/t14-,16-/m1/s1
InChIKeyRBXPZQLMDYXCEE-GDBMZVCRSA-N
MW349.45 g/mol
LogP2.32
Rot. Bonds5

About N-[(1R)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-[(2R)-oxolan-2-yl]acetamide

N-[(1R)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-[(2R)-oxolan-2-yl]acetamide (PubChem CID 94616427) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is N-[(1R)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-[(2R)-oxolan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-[(2R)-oxolan-2-yl]acetamide
PubChem CID94616427
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC NameN-[(1R)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-[(2R)-oxolan-2-yl]acetamide
SMILESC[C@@H](NC(=O)C[C@H]1CCCO1)c1ccc(N2CCN(C)CC2)c(F)c1
InChIInChI=1S/C19H28FN3O2/c1-14(21-19(24)13-16-4-3-11-25-16)15-5-6-18(17(20)12-15)23-9-7-22(2)8-10-23/h5-6,12,14,16H,3-4,7-11,13H2,1-2H3,(H,21,24)/t14-,16-/m1/s1
InChIKeyRBXPZQLMDYXCEE-GDBMZVCRSA-N
XLogP2.32
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-[(2R)-oxolan-2-yl]acetamide with MolForge

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Related Compounds

(1S)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 29038668
1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 164664251
N-[1-(3-fluoro-4-methylphenyl)ethyl]-3-(oxolan-2-yl)propanamide
CID 71856408
N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95614536
N-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methylamino]acetamide
CID 99715210
N-ethyl-1-[3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)phenyl]ethanamine
CID 43284437
(2S)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95325759
1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 43505896
(1S)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 78939132
1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone;dihydrochloride
CID 119836964
3-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]butanal
CID 117415586
N-[1-(4-ethylphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119685898

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-[(2R)-oxolan-2-yl]acetamide?
The IUPAC name of N-[(1R)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-[(2R)-oxolan-2-yl]acetamide (CID 94616427) is N-[(1R)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-[(2R)-oxolan-2-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-[(2R)-oxolan-2-yl]acetamide?
The canonical SMILES for N-[(1R)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-[(2R)-oxolan-2-yl]acetamide is C[C@@H](NC(=O)C[C@H]1CCCO1)c1ccc(N2CCN(C)CC2)c(F)c1.
What is the InChIKey of N-[(1R)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-[(2R)-oxolan-2-yl]acetamide?
The InChIKey is RBXPZQLMDYXCEE-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H28FN3O2/c1-14(21-19(24)13-16-4-3-11-25-16)15-5-6-18(17(20)12-15)23-9-7-22(2)8-10-23/h5-6,12,14,16H,3-4,7-11,13H2,1-2H3,(H,21,24)/t14-,16-/m1/s1.
What are the key properties of N-[(1R)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-[(2R)-oxolan-2-yl]acetamide?
N-[(1R)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-[(2R)-oxolan-2-yl]acetamide has a molecular weight of 349.45 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-[(2R)-oxolan-2-yl]acetamide is sourced from PubChem (CID 94616427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).