1-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxylic acid

C16H25FN2O5 — CID 168690412

IUPAC1-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(F)(CN2CC(C(=O)O)CC2=O)CC1
InChIInChI=1S/C16H25FN2O5/c1-15(2,3)24-14(23)18-6-4-16(17,5-7-18)10-19-9-11(13(21)22)8-12(19)20/h11H,4-10H2,1-3H3,(H,21,22)
InChIKeyQBLPVWJFSUVJPZ-UHFFFAOYSA-N
MW344.38 g/mol
LogP1.66
Rot. Bonds3

About 1-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxylic acid

1-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168690412) has the molecular formula C16H25FN2O5 and a molecular weight of 344.38 g/mol. Its IUPAC name is 1-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168690412
Molecular FormulaC16H25FN2O5
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Name1-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(F)(CN2CC(C(=O)O)CC2=O)CC1
InChIInChI=1S/C16H25FN2O5/c1-15(2,3)24-14(23)18-6-4-16(17,5-7-18)10-19-9-11(13(21)22)8-12(19)20/h11H,4-10H2,1-3H3,(H,21,22)
InChIKeyQBLPVWJFSUVJPZ-UHFFFAOYSA-N
XLogP1.66
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(tert-Butoxycarbonyl)-4-piperidinyl]-5-oxo-3-pyrrolidinecarboxylic acid
CID 18526034
tert-butyl 4-[(4S)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate
CID 42544012
1-(Tert-butoxycarbonyl)-3-fluoropiperidine-4-carboxylic acid
CID 72698321
(3S,4R)-1-(Tert-butoxycarbonyl)-3-fluoropiperidine-4-carboxylic acid
CID 86335720
(3S,4S)-1-tert-butoxycarbonyl-3-fluoro-piperidine-4-carboxylic acid
CID 86335722
trans-1-(tert-Butoxycarbonyl)-3-fluoropiperidine-4-carboxylic acid
CID 86335724
Cis-1-(tert-butoxycarbonyl)-3-fluoropiperidine-4-carboxylic acid
CID 86335726
1-[(2-Methylpropan-2-yl)oxycarbonyl]-4-(3,3,4,4-tetrafluoropyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 166454784
3-Fluoro-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrrolidine-3-carboxylic acid
CID 115053517
3-Fluoro-1-(1-methyl-2-oxopiperidine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 119258523
(3S,4S)-1-[1-(2-methylpropanoyl)piperidine-4-carbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950379
(3S)-1-(tert-Butoxycarbonyl)-3-fluoropiperidine-4-carboxylic acid
CID 168006119

Frequently Asked Questions

What is the IUPAC name of 1-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxylic acid (CID 168690412) is 1-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxylic acid is CC(C)(C)OC(=O)N1CCC(F)(CN2CC(C(=O)O)CC2=O)CC1.
What is the InChIKey of 1-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is QBLPVWJFSUVJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O5/c1-15(2,3)24-14(23)18-6-4-16(17,5-7-18)10-19-9-11(13(21)22)8-12(19)20/h11H,4-10H2,1-3H3,(H,21,22).
What are the key properties of 1-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 344.38 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168690412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).