N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide

C19H28FN3O2 — CID 95614536

IUPACN-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide
SMILESCCN1CCN(c2ccc(CNC(=O)C[C@@H]3CCCO3)cc2F)CC1
InChIInChI=1S/C19H28FN3O2/c1-2-22-7-9-23(10-8-22)18-6-5-15(12-17(18)20)14-21-19(24)13-16-4-3-11-25-16/h5-6,12,16H,2-4,7-11,13-14H2,1H3,(H,21,24)/t16-/m0/s1
InChIKeyMWLXIWOXCOPJCM-INIZCTEOSA-N
MW349.45 g/mol
LogP2.15
Rot. Bonds6

About N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide

N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide (PubChem CID 95614536) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide.

Molecular Properties

Compound NameN-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide
PubChem CID95614536
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC NameN-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide
SMILESCCN1CCN(c2ccc(CNC(=O)C[C@@H]3CCCO3)cc2F)CC1
InChIInChI=1S/C19H28FN3O2/c1-2-22-7-9-23(10-8-22)18-6-5-15(12-17(18)20)14-21-19(24)13-16-4-3-11-25-16/h5-6,12,16H,2-4,7-11,13-14H2,1H3,(H,21,24)/t16-/m0/s1
InChIKeyMWLXIWOXCOPJCM-INIZCTEOSA-N
XLogP2.15
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95628532
(2R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 94616637
N-[(1R)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-[(2R)-oxolan-2-yl]acetamide
CID 94616427
1-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111136737
N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetamide
CID 86896540
N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 63060171
N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-(oxolan-2-yl)acetamide
CID 47036071
2-[(2S)-oxolan-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 94025809
2-[(2S)-oxolan-2-yl]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 94130282
N-[[3-(methylsulfanylmethyl)phenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 99828041
4-(4-ethylpiperazin-1-yl)-3-fluorobenzoic acid
CID 28604489
5-acetamido-N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-hydroxybenzamide
CID 86897094

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide?
The IUPAC name of N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide (CID 95614536) is N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide.
What is the SMILES notation for N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide?
The canonical SMILES for N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide is CCN1CCN(c2ccc(CNC(=O)C[C@@H]3CCCO3)cc2F)CC1.
What is the InChIKey of N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide?
The InChIKey is MWLXIWOXCOPJCM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H28FN3O2/c1-2-22-7-9-23(10-8-22)18-6-5-15(12-17(18)20)14-21-19(24)13-16-4-3-11-25-16/h5-6,12,16H,2-4,7-11,13-14H2,1H3,(H,21,24)/t16-/m0/s1.
What are the key properties of N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide?
N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide has a molecular weight of 349.45 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide is sourced from PubChem (CID 95614536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).