N-[2-(dimethylamino)-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide

C20H28N4O4 — CID 167190325

IUPACN-[2-(dimethylamino)-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide
SMILESCN(C)c1cc(N2CCC(CO)CC2)ccc1N(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C20H28N4O4/c1-22(2)18-11-15(23-9-7-14(12-25)8-10-23)3-4-16(18)24(13-26)17-5-6-19(27)21-20(17)28/h3-4,11,13-14,17,25H,5-10,12H2,1-2H3,(H,21,27,28)
InChIKeyOJBHLHHNCXWABO-UHFFFAOYSA-N
MW388.47 g/mol
LogP0.73
Rot. Bonds6

About N-[2-(dimethylamino)-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide

N-[2-(dimethylamino)-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide (PubChem CID 167190325) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide
PubChem CID167190325
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC NameN-[2-(dimethylamino)-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide
SMILESCN(C)c1cc(N2CCC(CO)CC2)ccc1N(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C20H28N4O4/c1-22(2)18-11-15(23-9-7-14(12-25)8-10-23)3-4-16(18)24(13-26)17-5-6-19(27)21-20(17)28/h3-4,11,13-14,17,25H,5-10,12H2,1-2H3,(H,21,27,28)
InChIKeyOJBHLHHNCXWABO-UHFFFAOYSA-N
XLogP0.73
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 50.73
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-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide
CID 176963217
2-[1-[4-[(2,6-dioxopiperidin-3-yl)-methylamino]phenyl]piperidin-4-yl]acetaldehyde
CID 167470348
N-[3-bromo-2-(dimethylamino)-4-fluorophenyl]-N-(2,6-dioxopiperidin-3-yl)formamide
CID 170092695
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)-2-formyl-5-[4-(hydroxymethyl)piperidin-1-yl]benzamide
CID 178155469
3-[2-ethenoxy-4-[4-[(4-fluoropiperazin-1-yl)methyl]piperidin-1-yl]-N-methylanilino]piperidine-2,6-dione
CID 172591262
1-[4-[4-(hydroxymethyl)piperidin-1-yl]-3-methylphenyl]-1,3-diazinane-2,4-dione
CID 166948250
2-[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]acetaldehyde
CID 168874545
5-[4-[[4-(4-aminophenyl)piperazin-1-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methylbenzamide
CID 176966871
3-(N-methyl-4-piperazin-1-ylanilino)piperidine-2,6-dione;hydrochloride
CID 170749335
N-(2,3-dimethoxy-4-methylphenyl)-N-(2,6-dioxopiperidin-3-yl)formamide
CID 177010821
N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide
CID 171626777

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide?
The IUPAC name of N-[2-(dimethylamino)-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide (CID 167190325) is N-[2-(dimethylamino)-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide.
What is the SMILES notation for N-[2-(dimethylamino)-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide?
The canonical SMILES for N-[2-(dimethylamino)-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide is CN(C)c1cc(N2CCC(CO)CC2)ccc1N(C=O)C1CCC(=O)NC1=O.
What is the InChIKey of N-[2-(dimethylamino)-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide?
The InChIKey is OJBHLHHNCXWABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-22(2)18-11-15(23-9-7-14(12-25)8-10-23)3-4-16(18)24(13-26)17-5-6-19(27)21-20(17)28/h3-4,11,13-14,17,25H,5-10,12H2,1-2H3,(H,21,27,28).
What are the key properties of N-[2-(dimethylamino)-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide?
N-[2-(dimethylamino)-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide has a molecular weight of 388.47 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide is sourced from PubChem (CID 167190325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).