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

C19H26N4O4 — CID 176963217

IUPACN-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide
SMILESCN(C)c1cc(N2CCC(O)CC2)ccc1N(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C19H26N4O4/c1-21(2)17-11-13(22-9-7-14(25)8-10-22)3-4-15(17)23(12-24)16-5-6-18(26)20-19(16)27/h3-4,11-12,14,16,25H,5-10H2,1-2H3,(H,20,26,27)
InChIKeyOGCISQRVKGXVIO-UHFFFAOYSA-N
MW374.44 g/mol
LogP0.48
Rot. Bonds5

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

N-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide (PubChem CID 176963217) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide
PubChem CID176963217
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC NameN-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide
SMILESCN(C)c1cc(N2CCC(O)CC2)ccc1N(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C19H26N4O4/c1-21(2)17-11-13(22-9-7-14(25)8-10-22)3-4-15(17)23(12-24)16-5-6-18(26)20-19(16)27/h3-4,11-12,14,16,25H,5-10H2,1-2H3,(H,20,26,27)
InChIKeyOGCISQRVKGXVIO-UHFFFAOYSA-N
XLogP0.48
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 50.48
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-(hydroxymethyl)piperidin-1-yl]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide
CID 167190325
N-[3-bromo-2-(dimethylamino)-4-fluorophenyl]-N-(2,6-dioxopiperidin-3-yl)formamide
CID 170092695
2-[1-[4-[(2,6-dioxopiperidin-3-yl)-methylamino]phenyl]piperidin-4-yl]acetaldehyde
CID 167470348
N-(2,3-dimethoxy-4-methylphenyl)-N-(2,6-dioxopiperidin-3-yl)formamide
CID 177010821
N-(4,8-dimethylnaphthalen-1-yl)-N-(2,6-dioxopiperidin-3-yl)formamide
CID 163259167
tert-butyl 4-[2-(dimethylamino)-3-[(2,6-dioxopiperidin-3-yl)-formylamino]phenyl]piperidine-1-carboxylate
CID 167009795
3-(N-methyl-4-piperazin-1-ylanilino)piperidine-2,6-dione;hydrochloride
CID 170749335
N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-5-[3-(2-oxoethyl)pyrrolidin-1-yl]benzamide
CID 174298906
tert-butyl 4-(3,4-diformylphenyl)piperazine-1-carboxylate;3-(dimethylamino)piperidine-2,6-dione
CID 178099863
2-[(Z)-[(2,6-dioxopiperidin-3-yl)-methylhydrazinylidene]methyl]-4-piperazin-1-ylbenzaldehyde
CID 171564653
N-[3-[4-[3-(dimethylamino)-4-[(2,6-dioxopiperidin-3-yl)-formylamino]phenyl]but-3-ynoxy]-5-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-ylmethoxy)pentyl]formamide
CID 170572900
3-[2-ethenoxy-4-[4-[(4-fluoropiperazin-1-yl)methyl]piperidin-1-yl]-N-methylanilino]piperidine-2,6-dione
CID 172591262

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide?
The IUPAC name of N-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide (CID 176963217) is N-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide.
What is the SMILES notation for N-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide?
The canonical SMILES for N-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide is CN(C)c1cc(N2CCC(O)CC2)ccc1N(C=O)C1CCC(=O)NC1=O.
What is the InChIKey of N-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide?
The InChIKey is OGCISQRVKGXVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-21(2)17-11-13(22-9-7-14(25)8-10-22)3-4-15(17)23(12-24)16-5-6-18(26)20-19(16)27/h3-4,11-12,14,16,25H,5-10H2,1-2H3,(H,20,26,27).
What are the key properties of N-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide?
N-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide has a molecular weight of 374.44 g/mol, XLogP of 0.48, 5 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-hydroxypiperidin-1-yl)phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide is sourced from PubChem (CID 176963217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).