N-(2,6-dioxopiperidin-3-yl)-2-formyl-5-[4-(hydroxymethyl)piperidin-1-yl]benzamide

C19H23N3O5 — CID 178155469

IUPACN-(2,6-dioxopiperidin-3-yl)-2-formyl-5-[4-(hydroxymethyl)piperidin-1-yl]benzamide
SMILESO=Cc1ccc(N2CCC(CO)CC2)cc1C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C19H23N3O5/c23-10-12-5-7-22(8-6-12)14-2-1-13(11-24)15(9-14)18(26)20-16-3-4-17(25)21-19(16)27/h1-2,9,11-12,16,23H,3-8,10H2,(H,20,26)(H,21,25,27)
InChIKeyVVXABQAIBFFQHT-UHFFFAOYSA-N
MW373.41 g/mol
LogP0.24
Rot. Bonds5

About N-(2,6-dioxopiperidin-3-yl)-2-formyl-5-[4-(hydroxymethyl)piperidin-1-yl]benzamide

N-(2,6-dioxopiperidin-3-yl)-2-formyl-5-[4-(hydroxymethyl)piperidin-1-yl]benzamide (PubChem CID 178155469) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-2-formyl-5-[4-(hydroxymethyl)piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-2-formyl-5-[4-(hydroxymethyl)piperidin-1-yl]benzamide
PubChem CID178155469
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-2-formyl-5-[4-(hydroxymethyl)piperidin-1-yl]benzamide
SMILESO=Cc1ccc(N2CCC(CO)CC2)cc1C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C19H23N3O5/c23-10-12-5-7-22(8-6-12)14-2-1-13(11-24)15(9-14)18(26)20-16-3-4-17(25)21-19(16)27/h1-2,9,11-12,16,23H,3-8,10H2,(H,20,26)(H,21,25,27)
InChIKeyVVXABQAIBFFQHT-UHFFFAOYSA-N
XLogP0.24
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide
CID 171626777
tert-butyl 4-[[4-[4-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-formylphenyl]piperazin-1-yl]methyl]piperidine-1-carboxylate
CID 178155544
N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formylbenzamide
CID 134581835
5-(5-aminopentylamino)-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide
CID 162486117
5-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide
CID 162486100
N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-5-[3-(2-oxoethyl)pyrrolidin-1-yl]benzamide
CID 174298906
N-(2,6-dioxopiperidin-3-yl)-4-piperazin-1-ylpyridine-2-carboxamide
CID 172609767
3-[4-[(1-aminopiperidin-4-yl)methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)benzamide
CID 167463620
5-[4-[[4-(4-aminophenyl)piperazin-1-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methylbenzamide
CID 176966871
N-[2-(dimethylamino)-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide
CID 167190325
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide
CID 141087093
4-[4-[[4-(5-amino-6-piperidin-1-ylindazol-2-yl)piperidin-1-yl]methyl]piperidin-1-yl]-N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 177209130

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-formyl-5-[4-(hydroxymethyl)piperidin-1-yl]benzamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-formyl-5-[4-(hydroxymethyl)piperidin-1-yl]benzamide (CID 178155469) is N-(2,6-dioxopiperidin-3-yl)-2-formyl-5-[4-(hydroxymethyl)piperidin-1-yl]benzamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-2-formyl-5-[4-(hydroxymethyl)piperidin-1-yl]benzamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-2-formyl-5-[4-(hydroxymethyl)piperidin-1-yl]benzamide is O=Cc1ccc(N2CCC(CO)CC2)cc1C(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-2-formyl-5-[4-(hydroxymethyl)piperidin-1-yl]benzamide?
The InChIKey is VVXABQAIBFFQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c23-10-12-5-7-22(8-6-12)14-2-1-13(11-24)15(9-14)18(26)20-16-3-4-17(25)21-19(16)27/h1-2,9,11-12,16,23H,3-8,10H2,(H,20,26)(H,21,25,27).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-2-formyl-5-[4-(hydroxymethyl)piperidin-1-yl]benzamide?
N-(2,6-dioxopiperidin-3-yl)-2-formyl-5-[4-(hydroxymethyl)piperidin-1-yl]benzamide has a molecular weight of 373.41 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-2-formyl-5-[4-(hydroxymethyl)piperidin-1-yl]benzamide is sourced from PubChem (CID 178155469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).