1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-3-fluoro-2-pyridinyl]piperidine-4-carbaldehyde

C16H18FN3O3 — CID 171774160

IUPAC1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-3-fluoro-2-pyridinyl]piperidine-4-carbaldehyde
SMILESO=CC1CCN(c2ncc([C@H]3CCC(=O)NC3=O)cc2F)CC1
InChIInChI=1S/C16H18FN3O3/c17-13-7-11(12-1-2-14(22)19-16(12)23)8-18-15(13)20-5-3-10(9-21)4-6-20/h7-10,12H,1-6H2,(H,19,22,23)/t12-/m1/s1
InChIKeyLCKKIXIKYMYKBL-GFCCVEGCSA-N
MW319.34 g/mol
LogP1.16
Rot. Bonds3

About 1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-3-fluoro-2-pyridinyl]piperidine-4-carbaldehyde

1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-3-fluoro-2-pyridinyl]piperidine-4-carbaldehyde (PubChem CID 171774160) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-3-fluoro-2-pyridinyl]piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-3-fluoro-2-pyridinyl]piperidine-4-carbaldehyde
PubChem CID171774160
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-3-fluoro-2-pyridinyl]piperidine-4-carbaldehyde
SMILESO=CC1CCN(c2ncc([C@H]3CCC(=O)NC3=O)cc2F)CC1
InChIInChI=1S/C16H18FN3O3/c17-13-7-11(12-1-2-14(22)19-16(12)23)8-18-15(13)20-5-3-10(9-21)4-6-20/h7-10,12H,1-6H2,(H,19,22,23)/t12-/m1/s1
InChIKeyLCKKIXIKYMYKBL-GFCCVEGCSA-N
XLogP1.16
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[5-fluoro-6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
CID 166113598
3-[5-fluoro-6-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]piperidine-2,6-dione
CID 166471840
1-(3,5-difluoro-2-pyridinyl)piperidine-4-carbaldehyde
CID 112676509
1-[3-(2,6-dioxopiperidin-3-yl)-5-fluoro-1-methylindazol-6-yl]piperidine-4-carbaldehyde
CID 177144627
1-[1-[5-(2,6-dioxopiperidin-3-yl)-3-methyl-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid
CID 168882341
2-[1-[5-[(2,6-dioxopiperidin-3-yl)amino]-3-fluoro-2-pyridinyl]piperidin-4-yl]acetic acid
CID 166472355
2-tert-butyl-1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidine-4-carbaldehyde
CID 175422737
3-(4-fluoro-3-piperazin-1-ylphenyl)piperidine-2,6-dione
CID 177028079
3-[6-(azetidin-1-yl)-3-pyridinyl]piperidine-2,6-dione
CID 166113376
3-(5-methyl-3-pyridinyl)piperidine-2,6-dione
CID 167474889
tert-butyl 4-[5-[(2,6-dioxopiperidin-3-yl)amino]-3-fluoro-2-pyridinyl]piperazine-1-carboxylate
CID 166117069
3-(6-amino-3-pyridinyl)piperidine-2,6-dione;hydrochloride
CID 166552755

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-3-fluoro-2-pyridinyl]piperidine-4-carbaldehyde?
The IUPAC name of 1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-3-fluoro-2-pyridinyl]piperidine-4-carbaldehyde (CID 171774160) is 1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-3-fluoro-2-pyridinyl]piperidine-4-carbaldehyde.
What is the SMILES notation for 1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-3-fluoro-2-pyridinyl]piperidine-4-carbaldehyde?
The canonical SMILES for 1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-3-fluoro-2-pyridinyl]piperidine-4-carbaldehyde is O=CC1CCN(c2ncc([C@H]3CCC(=O)NC3=O)cc2F)CC1.
What is the InChIKey of 1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-3-fluoro-2-pyridinyl]piperidine-4-carbaldehyde?
The InChIKey is LCKKIXIKYMYKBL-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18FN3O3/c17-13-7-11(12-1-2-14(22)19-16(12)23)8-18-15(13)20-5-3-10(9-21)4-6-20/h7-10,12H,1-6H2,(H,19,22,23)/t12-/m1/s1.
What are the key properties of 1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-3-fluoro-2-pyridinyl]piperidine-4-carbaldehyde?
1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-3-fluoro-2-pyridinyl]piperidine-4-carbaldehyde has a molecular weight of 319.34 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-3-fluoro-2-pyridinyl]piperidine-4-carbaldehyde is sourced from PubChem (CID 171774160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).