N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formyl-N-methyl-5-(4-piperidin-4-ylpiperidin-1-yl)benzamide

C24H31FN4O4 — CID 167091351

IUPACN-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formyl-N-methyl-5-(4-piperidin-4-ylpiperidin-1-yl)benzamide
SMILESCN(C(=O)c1cc(N2CCC(C3CCNCC3)CC2)c(F)cc1C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C24H31FN4O4/c1-28(20-2-3-22(31)27-23(20)32)24(33)18-13-21(19(25)12-17(18)14-30)29-10-6-16(7-11-29)15-4-8-26-9-5-15/h12-16,20,26H,2-11H2,1H3,(H,27,31,32)
InChIKeyKCFCYQZBPPDLSF-UHFFFAOYSA-N
MW458.53 g/mol
LogP1.73
Rot. Bonds5

About N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formyl-N-methyl-5-(4-piperidin-4-ylpiperidin-1-yl)benzamide

N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formyl-N-methyl-5-(4-piperidin-4-ylpiperidin-1-yl)benzamide (PubChem CID 167091351) has the molecular formula C24H31FN4O4 and a molecular weight of 458.53 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formyl-N-methyl-5-(4-piperidin-4-ylpiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formyl-N-methyl-5-(4-piperidin-4-ylpiperidin-1-yl)benzamide
PubChem CID167091351
Molecular FormulaC24H31FN4O4
Molecular Weight458.53 g/mol
Exact Mass458.23
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formyl-N-methyl-5-(4-piperidin-4-ylpiperidin-1-yl)benzamide
SMILESCN(C(=O)c1cc(N2CCC(C3CCNCC3)CC2)c(F)cc1C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C24H31FN4O4/c1-28(20-2-3-22(31)27-23(20)32)24(33)18-13-21(19(25)12-17(18)14-30)29-10-6-16(7-11-29)15-4-8-26-9-5-15/h12-16,20,26H,2-11H2,1H3,(H,27,31,32)
InChIKeyKCFCYQZBPPDLSF-UHFFFAOYSA-N
XLogP1.73
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 51.73
H-Bond Donors ≤ 52
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-formyl-4-hydroxy-N-methylbenzamide
CID 142367681
N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-5-[3-(2-oxoethyl)pyrrolidin-1-yl]benzamide
CID 174298906
5-[4-[[4-(4-aminophenyl)piperazin-1-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methylbenzamide
CID 176966871
4-(azetidin-3-ylmethoxy)-N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methylbenzamide
CID 166694940
2-[2-[4-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]-3-formylphenyl]-2,7-diazaspiro[3.5]nonan-7-yl]acetic acid
CID 166831880
tert-butyl 1-[[1-[4-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]-3-formylphenyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxylate
CID 167190482
1-N-(cyclohexylmethyl)-3-N-(2,6-dioxopiperidin-3-yl)-4-formyl-3-N-methylbenzene-1,3-dicarboxamide
CID 167275653
2-[(Z)-[(2,6-dioxopiperidin-3-yl)-methylhydrazinylidene]methyl]-4-piperazin-1-ylbenzaldehyde
CID 171564653
N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-6-(methylamino)benzamide;4-(piperazin-1-ylmethyl)benzaldehyde
CID 170979687
(4aS)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine-8-carboxamide
CID 170727208
N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-formyl-2-methylbenzamide
CID 154690274
N-chloro-N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-[4-(piperazin-1-ylmethyl)piperidin-1-yl]benzamide
CID 166514379

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formyl-N-methyl-5-(4-piperidin-4-ylpiperidin-1-yl)benzamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formyl-N-methyl-5-(4-piperidin-4-ylpiperidin-1-yl)benzamide (CID 167091351) is N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formyl-N-methyl-5-(4-piperidin-4-ylpiperidin-1-yl)benzamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formyl-N-methyl-5-(4-piperidin-4-ylpiperidin-1-yl)benzamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formyl-N-methyl-5-(4-piperidin-4-ylpiperidin-1-yl)benzamide is CN(C(=O)c1cc(N2CCC(C3CCNCC3)CC2)c(F)cc1C=O)C1CCC(=O)NC1=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formyl-N-methyl-5-(4-piperidin-4-ylpiperidin-1-yl)benzamide?
The InChIKey is KCFCYQZBPPDLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O4/c1-28(20-2-3-22(31)27-23(20)32)24(33)18-13-21(19(25)12-17(18)14-30)29-10-6-16(7-11-29)15-4-8-26-9-5-15/h12-16,20,26H,2-11H2,1H3,(H,27,31,32).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formyl-N-methyl-5-(4-piperidin-4-ylpiperidin-1-yl)benzamide?
N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formyl-N-methyl-5-(4-piperidin-4-ylpiperidin-1-yl)benzamide has a molecular weight of 458.53 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formyl-N-methyl-5-(4-piperidin-4-ylpiperidin-1-yl)benzamide is sourced from PubChem (CID 167091351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).