N-[[(5S)-3-[4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C18H24F2N4O3 — CID 11394934

IUPACN-[[(5S)-3-[4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCC(F)(CN)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H24F2N4O3/c1-12(25)22-9-14-10-24(17(26)27-14)13-2-3-16(15(19)8-13)23-6-4-18(20,11-21)5-7-23/h2-3,8,14H,4-7,9-11,21H2,1H3,(H,22,25)/t14-/m0/s1
InChIKeyOCFOBKRTDLAYQB-AWEZNQCLSA-N
MW382.41 g/mol
LogP1.55
Rot. Bonds5

About N-[[(5S)-3-[4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11394934) has the molecular formula C18H24F2N4O3 and a molecular weight of 382.41 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11394934
Molecular FormulaC18H24F2N4O3
Molecular Weight382.41 g/mol
Exact Mass382.18
IUPAC NameN-[[(5S)-3-[4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCC(F)(CN)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H24F2N4O3/c1-12(25)22-9-14-10-24(17(26)27-14)13-2-3-16(15(19)8-13)23-6-4-18(20,11-21)5-7-23/h2-3,8,14H,4-7,9-11,21H2,1H3,(H,22,25)/t14-/m0/s1
InChIKeyOCFOBKRTDLAYQB-AWEZNQCLSA-N
XLogP1.55
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11394934) is N-[[(5S)-3-[4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3CCC(F)(CN)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is OCFOBKRTDLAYQB-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24F2N4O3/c1-12(25)22-9-14-10-24(17(26)27-14)13-2-3-16(15(19)8-13)23-6-4-18(20,11-21)5-7-23/h2-3,8,14H,4-7,9-11,21H2,1H3,(H,22,25)/t14-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 382.41 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11394934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).