N-[(2R)-4-[3-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-3-methyl-5-oxooxolan-2-yl]acetamide

C19H26FN3O4 — CID 54087400

IUPACN-[(2R)-4-[3-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-3-methyl-5-oxooxolan-2-yl]acetamide
SMILESCC(=O)N[C@@H]1OC(=O)C(c2ccc(N3CCN(CCO)CC3)c(F)c2)C1C
InChIInChI=1S/C19H26FN3O4/c1-12-17(19(26)27-18(12)21-13(2)25)14-3-4-16(15(20)11-14)23-7-5-22(6-8-23)9-10-24/h3-4,11-12,17-18,24H,5-10H2,1-2H3,(H,21,25)/t12?,17?,18-/m1/s1
InChIKeyMRLBZZZDLHDLGD-ZZHQXOFYSA-N
MW379.43 g/mol
LogP0.68
Rot. Bonds5

About N-[(2R)-4-[3-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-3-methyl-5-oxooxolan-2-yl]acetamide

N-[(2R)-4-[3-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-3-methyl-5-oxooxolan-2-yl]acetamide (PubChem CID 54087400) has the molecular formula C19H26FN3O4 and a molecular weight of 379.43 g/mol. Its IUPAC name is N-[(2R)-4-[3-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-3-methyl-5-oxooxolan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-4-[3-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-3-methyl-5-oxooxolan-2-yl]acetamide
PubChem CID54087400
Molecular FormulaC19H26FN3O4
Molecular Weight379.43 g/mol
Exact Mass379.19
IUPAC NameN-[(2R)-4-[3-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-3-methyl-5-oxooxolan-2-yl]acetamide
SMILESCC(=O)N[C@@H]1OC(=O)C(c2ccc(N3CCN(CCO)CC3)c(F)c2)C1C
InChIInChI=1S/C19H26FN3O4/c1-12-17(19(26)27-18(12)21-13(2)25)14-3-4-16(15(20)11-14)23-7-5-22(6-8-23)9-10-24/h3-4,11-12,17-18,24H,5-10H2,1-2H3,(H,21,25)/t12?,17?,18-/m1/s1
InChIKeyMRLBZZZDLHDLGD-ZZHQXOFYSA-N
XLogP0.68
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[2-(4-Ethoxycarbonyl-4-phenylpiperidin-1-yl)ethyl]anilino]-4-oxobutanoic acid
CID 229837
Ethyl 1-{[(4-fluorophenyl)carbamoyl]methyl}-4-phenylpiperidine-4-carboxylate
CID 5021379
methyl 2-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]acetate
CID 9927259
tert-butyl 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylate
CID 10172864
1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylic acid
CID 10286662
(1S,5S,6R)-3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]bicyclo[3.1.0]hex-2-ene-6-carboxylic acid
CID 20788943
Tert-butyl 1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylate
CID 23441499
1-[4-[5-(Acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylic acid
CID 23441544
N-[(2R)-4-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]-3-methyl-5-oxooxolan-2-yl]acetamide
CID 53643622
N-[(2R)-4-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-3,5-difluorophenyl]-3-methyl-5-oxooxolan-2-yl]acetamide
CID 53647647
N-[(2R)-4-(3-fluoro-4-piperazin-1-ylphenyl)-3-methyl-5-oxo-2H-furan-2-yl]acetamide
CID 53668228
N-[(2R)-4-[3,5-difluoro-4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl]-3-methyl-5-oxooxolan-2-yl]acetamide
CID 53676049

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-[3-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-3-methyl-5-oxooxolan-2-yl]acetamide?
The IUPAC name of N-[(2R)-4-[3-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-3-methyl-5-oxooxolan-2-yl]acetamide (CID 54087400) is N-[(2R)-4-[3-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-3-methyl-5-oxooxolan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-4-[3-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-3-methyl-5-oxooxolan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-4-[3-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-3-methyl-5-oxooxolan-2-yl]acetamide is CC(=O)N[C@@H]1OC(=O)C(c2ccc(N3CCN(CCO)CC3)c(F)c2)C1C.
What is the InChIKey of N-[(2R)-4-[3-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-3-methyl-5-oxooxolan-2-yl]acetamide?
The InChIKey is MRLBZZZDLHDLGD-ZZHQXOFYSA-N. The full InChI is InChI=1S/C19H26FN3O4/c1-12-17(19(26)27-18(12)21-13(2)25)14-3-4-16(15(20)11-14)23-7-5-22(6-8-23)9-10-24/h3-4,11-12,17-18,24H,5-10H2,1-2H3,(H,21,25)/t12?,17?,18-/m1/s1.
What are the key properties of N-[(2R)-4-[3-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-3-methyl-5-oxooxolan-2-yl]acetamide?
N-[(2R)-4-[3-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-3-methyl-5-oxooxolan-2-yl]acetamide has a molecular weight of 379.43 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-[3-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-3-methyl-5-oxooxolan-2-yl]acetamide is sourced from PubChem (CID 54087400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).