6-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]spiro[2H-furo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxylic acid

C18H20N4O6 — CID 170172308

IUPAC6-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]spiro[2H-furo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxylic acid
SMILESO=C1CC[C@H](NC(=O)c2ccc3c(n2)OCC32CCN(C(=O)O)CC2)C(=O)N1
InChIInChI=1S/C18H20N4O6/c23-13-4-3-11(15(25)21-13)19-14(24)12-2-1-10-16(20-12)28-9-18(10)5-7-22(8-6-18)17(26)27/h1-2,11H,3-9H2,(H,19,24)(H,26,27)(H,21,23,25)/t11-/m0/s1
InChIKeyPOLQQIZHTLGICE-NSHDSACASA-N
MW388.38 g/mol
LogP0.02
Rot. Bonds2

About 6-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]spiro[2H-furo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxylic acid

6-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]spiro[2H-furo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxylic acid (PubChem CID 170172308) has the molecular formula C18H20N4O6 and a molecular weight of 388.38 g/mol. Its IUPAC name is 6-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]spiro[2H-furo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxylic acid.

Molecular Properties

Compound Name6-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]spiro[2H-furo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxylic acid
PubChem CID170172308
Molecular FormulaC18H20N4O6
Molecular Weight388.38 g/mol
Exact Mass388.14
IUPAC Name6-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]spiro[2H-furo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxylic acid
SMILESO=C1CC[C@H](NC(=O)c2ccc3c(n2)OCC32CCN(C(=O)O)CC2)C(=O)N1
InChIInChI=1S/C18H20N4O6/c23-13-4-3-11(15(25)21-13)19-14(24)12-2-1-10-16(20-12)28-9-18(10)5-7-22(8-6-18)17(26)27/h1-2,11H,3-9H2,(H,19,24)(H,26,27)(H,21,23,25)/t11-/m0/s1
InChIKeyPOLQQIZHTLGICE-NSHDSACASA-N
XLogP0.02
TPSA137.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dioxopiperidin-3-yl)-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide
CID 170727346
N-[(3R)-2,6-dioxopiperidin-3-yl]pyridine-2-carboxamide
CID 175992021
4-aminocyclohexane-1,3-dione;6-amino-N-(2,6-dioxopiperidin-3-yl)pyridine-2-carboxamide;6-aminopyridine-2-carboxylic acid
CID 158886613
N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709
2-chloro-N-(2,6-dioxopiperidin-3-yl)furan-3-carboxamide
CID 106686964
N-(2,6-dioxopiperidin-3-yl)-5-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide
CID 171786638
N-(2,6-dioxopiperidin-3-yl)-4-piperazin-1-ylpyridine-2-carboxamide
CID 172609767
N-(2,6-dioxopiperidin-3-yl)-1H-imidazole-5-carboxamide
CID 110475285
N-[(3S)-2,6-dioxopiperidin-3-yl]pyrimidine-2-carboxamide
CID 156797860
N-(2,6-dioxopiperidin-3-yl)-6-methoxy-5-[4-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 170728572
N-(2,6-dioxopiperidin-3-yl)-3-phenylbenzamide
CID 138467355
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide
CID 141087093

Frequently Asked Questions

What is the IUPAC name of 6-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]spiro[2H-furo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxylic acid?
The IUPAC name of 6-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]spiro[2H-furo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxylic acid (CID 170172308) is 6-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]spiro[2H-furo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxylic acid.
What is the SMILES notation for 6-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]spiro[2H-furo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxylic acid?
The canonical SMILES for 6-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]spiro[2H-furo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxylic acid is O=C1CC[C@H](NC(=O)c2ccc3c(n2)OCC32CCN(C(=O)O)CC2)C(=O)N1.
What is the InChIKey of 6-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]spiro[2H-furo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxylic acid?
The InChIKey is POLQQIZHTLGICE-NSHDSACASA-N. The full InChI is InChI=1S/C18H20N4O6/c23-13-4-3-11(15(25)21-13)19-14(24)12-2-1-10-16(20-12)28-9-18(10)5-7-22(8-6-18)17(26)27/h1-2,11H,3-9H2,(H,19,24)(H,26,27)(H,21,23,25)/t11-/m0/s1.
What are the key properties of 6-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]spiro[2H-furo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxylic acid?
6-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]spiro[2H-furo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxylic acid has a molecular weight of 388.38 g/mol, XLogP of 0.02, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]spiro[2H-furo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxylic acid is sourced from PubChem (CID 170172308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).