N-[[(5S)-3-[3-fluoro-4-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C26H29FN4O3 — CID 10412121

IUPACN-[[(5S)-3-[3-fluoro-4-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C3CCN(Cc4c[nH]c5ccccc45)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C26H29FN4O3/c1-17(32)28-14-21-16-31(26(33)34-21)20-6-7-22(24(27)12-20)18-8-10-30(11-9-18)15-19-13-29-25-5-3-2-4-23(19)25/h2-7,12-13,18,21,29H,8-11,14-16H2,1H3,(H,28,32)/t21-/m0/s1
InChIKeyLLFFKROGDQOSCD-NRFANRHFSA-N
MW464.54 g/mol
LogP4.15
Rot. Bonds6

About N-[[(5S)-3-[3-fluoro-4-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10412121) has the molecular formula C26H29FN4O3 and a molecular weight of 464.54 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10412121
Molecular FormulaC26H29FN4O3
Molecular Weight464.54 g/mol
Exact Mass464.22
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C3CCN(Cc4c[nH]c5ccccc45)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C26H29FN4O3/c1-17(32)28-14-21-16-31(26(33)34-21)20-6-7-22(24(27)12-20)18-8-10-30(11-9-18)15-19-13-29-25-5-3-2-4-23(19)25/h2-7,12-13,18,21,29H,8-11,14-16H2,1H3,(H,28,32)/t21-/m0/s1
InChIKeyLLFFKROGDQOSCD-NRFANRHFSA-N
XLogP4.15
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(5S)-3-[3-fluoro-4-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22625716
N-[[3-[4-(1,1-dioxothian-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18613632
N-[[(5S)-3-[3-fluoro-4-[(1R,3S)-3-hydroxy-4-oxocyclohexyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59994588
N-[[(5S)-3-[3-fluoro-4-[(1R)-4-hydroxy-3-oxocyclohexyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 91299786
N-[[3-[3-fluoro-4-(oxazepan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70342294
N-[[3-[3-fluoro-4-[(2S)-thian-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 90913950
N-[[(5S)-3-[4-(2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 163896499
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385
N-[[3-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67226556
N-[[(5S)-3-[4-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59994592
N-[[(5S)-3-[3-fluoro-4-(3-hydroxy-2-oxopyrrolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142714003
N-[[(5S)-3-[3-fluoro-4-[4-[2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 25212172

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10412121) is N-[[(5S)-3-[3-fluoro-4-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(C3CCN(Cc4c[nH]c5ccccc45)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is LLFFKROGDQOSCD-NRFANRHFSA-N. The full InChI is InChI=1S/C26H29FN4O3/c1-17(32)28-14-21-16-31(26(33)34-21)20-6-7-22(24(27)12-20)18-8-10-30(11-9-18)15-19-13-29-25-5-3-2-4-23(19)25/h2-7,12-13,18,21,29H,8-11,14-16H2,1H3,(H,28,32)/t21-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 464.54 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10412121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).