1-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]methyl]-3-piperidin-4-ylurea

C20H27N5O4 — CID 143987096

IUPAC1-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]methyl]-3-piperidin-4-ylurea
SMILESO=C1CCC(N2Cc3cc(CNC(=O)NC4CCNCC4)ccc3C2O)C(=O)N1
InChIInChI=1S/C20H27N5O4/c26-17-4-3-16(18(27)24-17)25-11-13-9-12(1-2-15(13)19(25)28)10-22-20(29)23-14-5-7-21-8-6-14/h1-2,9,14,16,19,21,28H,3-8,10-11H2,(H2,22,23,29)(H,24,26,27)
InChIKeyUPUAWTYGGKCUCX-UHFFFAOYSA-N
MW401.47 g/mol
LogP-0.15
Rot. Bonds4

About 1-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]methyl]-3-piperidin-4-ylurea

1-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]methyl]-3-piperidin-4-ylurea (PubChem CID 143987096) has the molecular formula C20H27N5O4 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]methyl]-3-piperidin-4-ylurea.

Molecular Properties

Compound Name1-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]methyl]-3-piperidin-4-ylurea
PubChem CID143987096
Molecular FormulaC20H27N5O4
Molecular Weight401.47 g/mol
Exact Mass401.21
IUPAC Name1-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]methyl]-3-piperidin-4-ylurea
SMILESO=C1CCC(N2Cc3cc(CNC(=O)NC4CCNCC4)ccc3C2O)C(=O)N1
InChIInChI=1S/C20H27N5O4/c26-17-4-3-16(18(27)24-17)25-11-13-9-12(1-2-15(13)19(25)28)10-22-20(29)23-14-5-7-21-8-6-14/h1-2,9,14,16,19,21,28H,3-8,10-11H2,(H2,22,23,29)(H,24,26,27)
InChIKeyUPUAWTYGGKCUCX-UHFFFAOYSA-N
XLogP-0.15
TPSA122.80 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 5-0.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]methyl]-3-piperidin-4-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]methyl]-3-[4-[[4-(2-hydroxypropan-2-yl)phenyl]methoxy]phenyl]urea
CID 176989738
3-(5-bromo-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 152965133
3-[5-(piperidin-4-ylmethyl)-1-sulfanyl-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 176674069
3-[1-hydroxy-5-(4-oxopiperidin-1-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 170564498
1-[(3-hydroxyphenyl)methyl]-3-piperidin-4-ylurea
CID 117235378
3-[1-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 167239354
3-[5-[[(1R,2S)-2-(4,4-dimethylpentan-2-ylamino)cyclohexyl]methyl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 170214615
[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylurea
CID 131740402
1-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-5-yl]methyl]-3-naphthalen-1-ylurea
CID 145021910
3-[4-[(4-chlorophenyl)methoxy]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 163697364
3-[5-[3-(dimethoxymethyl)azetidin-1-yl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 174315913
3-[1-hydroxy-5-[[3-[2-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]-2-oxoimidazolidin-1-yl]methyl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 176989747

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]methyl]-3-piperidin-4-ylurea?
The IUPAC name of 1-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]methyl]-3-piperidin-4-ylurea (CID 143987096) is 1-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]methyl]-3-piperidin-4-ylurea.
What is the SMILES notation for 1-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]methyl]-3-piperidin-4-ylurea?
The canonical SMILES for 1-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]methyl]-3-piperidin-4-ylurea is O=C1CCC(N2Cc3cc(CNC(=O)NC4CCNCC4)ccc3C2O)C(=O)N1.
What is the InChIKey of 1-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]methyl]-3-piperidin-4-ylurea?
The InChIKey is UPUAWTYGGKCUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4/c26-17-4-3-16(18(27)24-17)25-11-13-9-12(1-2-15(13)19(25)28)10-22-20(29)23-14-5-7-21-8-6-14/h1-2,9,14,16,19,21,28H,3-8,10-11H2,(H2,22,23,29)(H,24,26,27).
What are the key properties of 1-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]methyl]-3-piperidin-4-ylurea?
1-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]methyl]-3-piperidin-4-ylurea has a molecular weight of 401.47 g/mol, XLogP of -0.15, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]methyl]-3-piperidin-4-ylurea is sourced from PubChem (CID 143987096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).