N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide

C18H22FN3O4 — CID 171626777

IUPACN-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide
SMILESO=C1CCC(NC(=O)c2ccc(N3CCC(CO)CC3)cc2F)C(=O)N1
InChIInChI=1S/C18H22FN3O4/c19-14-9-12(22-7-5-11(10-23)6-8-22)1-2-13(14)17(25)20-15-3-4-16(24)21-18(15)26/h1-2,9,11,15,23H,3-8,10H2,(H,20,25)(H,21,24,26)
InChIKeyMDOUPFRLCWEQRG-UHFFFAOYSA-N
MW363.39 g/mol
LogP0.57
Rot. Bonds4

About N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide

N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide (PubChem CID 171626777) has the molecular formula C18H22FN3O4 and a molecular weight of 363.39 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide
PubChem CID171626777
Molecular FormulaC18H22FN3O4
Molecular Weight363.39 g/mol
Exact Mass363.16
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide
SMILESO=C1CCC(NC(=O)c2ccc(N3CCC(CO)CC3)cc2F)C(=O)N1
InChIInChI=1S/C18H22FN3O4/c19-14-9-12(22-7-5-11(10-23)6-8-22)1-2-13(14)17(25)20-15-3-4-16(24)21-18(15)26/h1-2,9,11,15,23H,3-8,10H2,(H,20,25)(H,21,24,26)
InChIKeyMDOUPFRLCWEQRG-UHFFFAOYSA-N
XLogP0.57
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dioxopiperidin-3-yl)-2-formyl-5-[4-(hydroxymethyl)piperidin-1-yl]benzamide
CID 178155469
4-(2,7-diazaspiro[3.5]nonan-2-yl)-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzamide;2,2,2-trifluoroacetic acid
CID 175975873
[4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]azanium
CID 155583990
N-[(3S)-2,6-bis(oxomethylidene)piperidin-3-yl]-2-fluoro-4-[3-(hydroxymethyl)azetidin-1-yl]benzamide
CID 176914974
N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-propan-2-ylbenzamide;ethane
CID 170749929
6-amino-N-[2-[1-[[1-[4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]pyridazine-4-carboxamide
CID 177209077
4-[4-[[1-[4-[[3-(8-cyano-1-methyl-2-oxoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-N-[(3S)-2,6-dioxopiperidin-3-yl]-2-fluorobenzamide
CID 171564828
N-(2,6-dioxopiperidin-3-yl)-4-piperazin-1-ylpyridine-2-carboxamide
CID 172609767
N-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-(2-fluorophenyl)piperidin-4-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 170728597
N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formylbenzamide
CID 134581835
2-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzenecarbothioamide
CID 113295802
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[4-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-fluorophenyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide
CID 156550801

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide (CID 171626777) is N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide is O=C1CCC(NC(=O)c2ccc(N3CCC(CO)CC3)cc2F)C(=O)N1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide?
The InChIKey is MDOUPFRLCWEQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O4/c19-14-9-12(22-7-5-11(10-23)6-8-22)1-2-13(14)17(25)20-15-3-4-16(24)21-18(15)26/h1-2,9,11,15,23H,3-8,10H2,(H,20,25)(H,21,24,26).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide?
N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide has a molecular weight of 363.39 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide is sourced from PubChem (CID 171626777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).