1-(2,6-dioxopiperidin-3-yl)-3-(5-phenylmethoxy-2-pyridinyl)urea

C18H18N4O4 — CID 153384906

IUPAC1-(2,6-dioxopiperidin-3-yl)-3-(5-phenylmethoxy-2-pyridinyl)urea
SMILESO=C1CCC(NC(=O)Nc2ccc(OCc3ccccc3)cn2)C(=O)N1
InChIInChI=1S/C18H18N4O4/c23-16-9-7-14(17(24)22-16)20-18(25)21-15-8-6-13(10-19-15)26-11-12-4-2-1-3-5-12/h1-6,8,10,14H,7,9,11H2,(H,22,23,24)(H2,19,20,21,25)
InChIKeyZZPCLVXTROEMJS-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.59
Rot. Bonds5

About 1-(2,6-dioxopiperidin-3-yl)-3-(5-phenylmethoxy-2-pyridinyl)urea

1-(2,6-dioxopiperidin-3-yl)-3-(5-phenylmethoxy-2-pyridinyl)urea (PubChem CID 153384906) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 1-(2,6-dioxopiperidin-3-yl)-3-(5-phenylmethoxy-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(2,6-dioxopiperidin-3-yl)-3-(5-phenylmethoxy-2-pyridinyl)urea
PubChem CID153384906
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name1-(2,6-dioxopiperidin-3-yl)-3-(5-phenylmethoxy-2-pyridinyl)urea
SMILESO=C1CCC(NC(=O)Nc2ccc(OCc3ccccc3)cn2)C(=O)N1
InChIInChI=1S/C18H18N4O4/c23-16-9-7-14(17(24)22-16)20-18(25)21-15-8-6-13(10-19-15)26-11-12-4-2-1-3-5-12/h1-6,8,10,14H,7,9,11H2,(H,22,23,24)(H2,19,20,21,25)
InChIKeyZZPCLVXTROEMJS-UHFFFAOYSA-N
XLogP1.59
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,6-dioxopiperidin-3-yl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743728
2-bromo-N-(5-phenylmethoxy-2-pyridinyl)propanamide
CID 163237790
N-[5-[(1-methylpyrazol-4-yl)methoxy]-2-pyridinyl]-2-phenylacetamide
CID 175623102
(4-fluorophenyl) N-(2,6-dioxopiperidin-3-yl)carbamate
CID 167480210
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 95988791
N-(2,6-dioxopiperidin-3-yl)-3-oxo-3-phenylpropanamide
CID 110463382
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 175838749
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide
CID 141087093
N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709
3-benzyl-6-[(5-phenylmethoxy-2-pyridinyl)methyl]piperazine-2,5-dione
CID 58981828
N-[(3R)-2,6-dioxopiperidin-3-yl]pyridine-2-carboxamide
CID 175992021
1-(2,5-dioxopyrrolidin-3-yl)-3-phenylurea
CID 110462621

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxopiperidin-3-yl)-3-(5-phenylmethoxy-2-pyridinyl)urea?
The IUPAC name of 1-(2,6-dioxopiperidin-3-yl)-3-(5-phenylmethoxy-2-pyridinyl)urea (CID 153384906) is 1-(2,6-dioxopiperidin-3-yl)-3-(5-phenylmethoxy-2-pyridinyl)urea.
What is the SMILES notation for 1-(2,6-dioxopiperidin-3-yl)-3-(5-phenylmethoxy-2-pyridinyl)urea?
The canonical SMILES for 1-(2,6-dioxopiperidin-3-yl)-3-(5-phenylmethoxy-2-pyridinyl)urea is O=C1CCC(NC(=O)Nc2ccc(OCc3ccccc3)cn2)C(=O)N1.
What is the InChIKey of 1-(2,6-dioxopiperidin-3-yl)-3-(5-phenylmethoxy-2-pyridinyl)urea?
The InChIKey is ZZPCLVXTROEMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c23-16-9-7-14(17(24)22-16)20-18(25)21-15-8-6-13(10-19-15)26-11-12-4-2-1-3-5-12/h1-6,8,10,14H,7,9,11H2,(H,22,23,24)(H2,19,20,21,25).
What are the key properties of 1-(2,6-dioxopiperidin-3-yl)-3-(5-phenylmethoxy-2-pyridinyl)urea?
1-(2,6-dioxopiperidin-3-yl)-3-(5-phenylmethoxy-2-pyridinyl)urea has a molecular weight of 354.37 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxopiperidin-3-yl)-3-(5-phenylmethoxy-2-pyridinyl)urea is sourced from PubChem (CID 153384906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).