1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-4-hydroxypiperidine-4-carboxylic acid

C16H19FN2O5 — CID 119250956

IUPAC1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(Cc1cccc(F)c1)NCC(=O)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C16H19FN2O5/c17-12-3-1-2-11(8-12)9-13(20)18-10-14(21)19-6-4-16(24,5-7-19)15(22)23/h1-3,8,24H,4-7,9-10H2,(H,18,20)(H,22,23)
InChIKeyQXLCBIQQODVICI-UHFFFAOYSA-N
MW338.34 g/mol
LogP-0.08
Rot. Bonds5

About 1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-4-hydroxypiperidine-4-carboxylic acid

1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 119250956) has the molecular formula C16H19FN2O5 and a molecular weight of 338.34 g/mol. Its IUPAC name is 1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-4-hydroxypiperidine-4-carboxylic acid
PubChem CID119250956
Molecular FormulaC16H19FN2O5
Molecular Weight338.34 g/mol
Exact Mass338.13
IUPAC Name1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(Cc1cccc(F)c1)NCC(=O)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C16H19FN2O5/c17-12-3-1-2-11(8-12)9-13(20)18-10-14(21)19-6-4-16(24,5-7-19)15(22)23/h1-3,8,24H,4-7,9-10H2,(H,18,20)(H,22,23)
InChIKeyQXLCBIQQODVICI-UHFFFAOYSA-N
XLogP-0.08
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 112994183
N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-2-(3-fluorophenyl)acetamide;hydrochloride
CID 120805630
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 112991714
2-(3-fluorophenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide
CID 112994572
2-(3-fluorophenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 112994419
2-(3-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 112996017
4-hydroxy-1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylic acid
CID 120528193
1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 72523464
2-(3-fluorophenyl)-1-(3-hydroxy-3-phenylpyrrolidin-1-yl)ethanone
CID 91777042
3-fluoro-1-[2-[(3-fluorobenzoyl)amino]acetyl]pyrrolidine-3-carboxylic acid
CID 120529785
N-[2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 55830425
1-[2-(2,3-difluorophenyl)acetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 120528129

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-4-hydroxypiperidine-4-carboxylic acid (CID 119250956) is 1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-4-hydroxypiperidine-4-carboxylic acid is O=C(Cc1cccc(F)c1)NCC(=O)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is QXLCBIQQODVICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O5/c17-12-3-1-2-11(8-12)9-13(20)18-10-14(21)19-6-4-16(24,5-7-19)15(22)23/h1-3,8,24H,4-7,9-10H2,(H,18,20)(H,22,23).
What are the key properties of 1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-4-hydroxypiperidine-4-carboxylic acid?
1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 338.34 g/mol, XLogP of -0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 119250956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).