4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-(1-formylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide

C24H32FN5O4 — CID 166729573

IUPAC4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-(1-formylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide
SMILESCN(C(=O)N1CCC(c2ccc(NC3CCC(=O)NC3=O)cc2F)CC1)C1CCN(C=O)CC1
InChIInChI=1S/C24H32FN5O4/c1-28(18-8-10-29(15-31)11-9-18)24(34)30-12-6-16(7-13-30)19-3-2-17(14-20(19)25)26-21-4-5-22(32)27-23(21)33/h2-3,14-16,18,21,26H,4-13H2,1H3,(H,27,32,33)
InChIKeyRLVRJNOOYIRMQN-UHFFFAOYSA-N
MW473.55 g/mol
LogP1.89
Rot. Bonds5

About 4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-(1-formylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide

4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-(1-formylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide (PubChem CID 166729573) has the molecular formula C24H32FN5O4 and a molecular weight of 473.55 g/mol. Its IUPAC name is 4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-(1-formylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-(1-formylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide
PubChem CID166729573
Molecular FormulaC24H32FN5O4
Molecular Weight473.55 g/mol
Exact Mass473.24
IUPAC Name4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-(1-formylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide
SMILESCN(C(=O)N1CCC(c2ccc(NC3CCC(=O)NC3=O)cc2F)CC1)C1CCN(C=O)CC1
InChIInChI=1S/C24H32FN5O4/c1-28(18-8-10-29(15-31)11-9-18)24(34)30-12-6-16(7-13-30)19-3-2-17(14-20(19)25)26-21-4-5-22(32)27-23(21)33/h2-3,14-16,18,21,26H,4-13H2,1H3,(H,27,32,33)
InChIKeyRLVRJNOOYIRMQN-UHFFFAOYSA-N
XLogP1.89
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 51.89
H-Bond Donors ≤ 52
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

tert-butyl 4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]piperidine-1-carboxylate
CID 156505960
3-[3-fluoro-4-(1-propylpiperidin-4-yl)anilino]piperidine-2,6-dione
CID 168856935
3-[4-[1-(4-aminocyclohexyl)piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione
CID 172591564
4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]oxypiperidine-1-carbaldehyde
CID 172589741
tert-butyl (3R,4R)-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-3-methoxypiperidine-1-carboxylate
CID 166168460
tert-butyl 4-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxylate
CID 162726270
3-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione
CID 166468153
ethane;3-(3-fluoro-4-propan-2-ylanilino)piperidine-2,6-dione
CID 170749603
tert-butyl 4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]piperidine-1-carboxylate;ethane
CID 170749705
[5-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]carbamic acid
CID 154941373
3-[4-(3,3-difluoropiperidin-4-yl)-3-fluoroanilino]piperidine-2,6-dione
CID 166168180
3-[4-(diethylamino)-3-fluoroanilino]piperidine-2,6-dione
CID 172590343

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-(1-formylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-(1-formylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide (CID 166729573) is 4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-(1-formylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-(1-formylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-(1-formylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide is CN(C(=O)N1CCC(c2ccc(NC3CCC(=O)NC3=O)cc2F)CC1)C1CCN(C=O)CC1.
What is the InChIKey of 4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-(1-formylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide?
The InChIKey is RLVRJNOOYIRMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN5O4/c1-28(18-8-10-29(15-31)11-9-18)24(34)30-12-6-16(7-13-30)19-3-2-17(14-20(19)25)26-21-4-5-22(32)27-23(21)33/h2-3,14-16,18,21,26H,4-13H2,1H3,(H,27,32,33).
What are the key properties of 4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-(1-formylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide?
4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-(1-formylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide has a molecular weight of 473.55 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-(1-formylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 166729573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).